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Search results for: ELECTRON TRANSFER.
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Photoinduced electron transfer in 5-bromouracil labeled DNA. A contrathermodynamic mechanism revisited by electron transfer theories
PublicationThe understanding of the 5-bromouracil (BrU) based photosensitization mechanism of DNA damage is of large interest due to the potential applications in photodynamic therapy. Photoinduced electron transfer (ET) in BrU labeled duplexes comprising the 50 -GBrU or 50 -ABrU sequence showed that a much lower reactivity was found for the 50 -GBrU pattern. Since the ionization potential of G is lower than that of A, this sequence selectivity...
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Anionic states of C6Cl6 probed in electron transfer experiments
PublicationThis is the first comprehensive investigation on the anionic species formed in collisions of fast neutral potassium (K) atoms with neutral hexachlorobenzene (C6Cl6) molecules in the laboratory frame range from 10 up to 100 eV. In such ion-pair formation experiments, we also report a novel K+ energy loss spectrum obtained in the forward scattering giving evidence of the most accessible electronic states. The vertical electron affinity...
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The Role of Electron Transfer in the Fragmentation of Phenyl and Cyclohexyl Boronic Acids
PublicationIn this study, novel measurements of negative ion formation in neutral potassium-neutral boronic acid collisions are reported in electron transfer experiments. The fragmentation pattern of phenylboronic acid is comprehensively investigated for a wide range of collision energies, i.e., from 10 to 1000 eV in the laboratory frame, allowing some of the most relevant dissociation channels to be probed. These studies were performed in...
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Simulating Electron Transfer Attachment to a Positively Charged Model Peptide
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Dipole and Coulomb Forces in Electron Capture Dissociation and Electron Transfer Dissociation Mass Spectroscopy
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Ball milling treatment of Mn3O4 regulates electron transfer pathway for peroxymonosulfate activation
PublicationHeterogeneous metal catalysts have attracted considerable interest in advanced oxidation processes (AOPs) for wastewater treatment by activating peroxymonosulfate (PMS). However, it remains challenging to the rational design of efficient reaction pathway for high-performance contaminants removal by regulating the inherent structure of metal oxides. Herein, a high-energy ball milling method was employed to modulate the electronic...
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Materials for Mediator-free Electron Transfer in the Enzymatic Electrodes of Biobatteries and Biofuel Cells
PublicationWe present functionalization of single-walled carbon nanotubes (SWCNTs) and their application in the enzymatic fuel cells construction. SWCNTs were covalently modified with different types of aromatic moieties. Free radical reaction was employed to create direct carbon-carbon bond between moiety and SWCNTs. In second approach functionalization takes place through amide bonding. Functionalized SWCNTs were characterized by spectroscopy...
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Impedance of cation-coupled electron transfer reaction: Theoretical description of one pathway process
PublicationIt has been assumed that cation electron coupled charge transfer can be conducted in accordance with two mutually coupled reactions. Using a differential method an expression was introduced which describes the impedance of a cation electron coupled transfer reaction. Also, an electrical equivalent circuit has been defined. The total faradaic impedance is the sum of electron transfer impedance and cation transfer impedance. Issues...
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Impedance of cation-coupled electron transfer reaction: teoretical description of one pathway process
PublicationPrzyjęto możliwość występowanie dwóch wzajemnie sprzężonych reakcji. Opisana została impedancja sprzężonej reakcji przeniesienia elektronu z kationem. Wyznaczony został również model elektrycznego schematu zastępczego. Całkowita impedancja Faradayowska jest sumą impedancji przeniesienia elektronu i impedancji przeniesienia kationu. Przykłady pomiaru impedancyjnego w warunkach potencjostatycznych i potencjodynamicznych zostały omówione....
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Mechanochemically synthesized Mn3O4@β-cyclodextrin mediates efficient electron transfer process for peroxymonosulfate activation
PublicationThe rational surface engineering of heterogeneous catalysts is of great significance in advanced oxidation processes (AOPs) for eliminating refractory contaminants but remains challenging. In this study, β-cyclodextrin modified Mn3O4 (Mn3O4@β-CD) was prepared through a mechanochemical approach for peroxymonosulfate (PMS) activation, which achieved efficient bisphenol A (BPA) removal via electron transfer process (ETP). The reactive...
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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublicationTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
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New reaction of dithiophosphoric acids with O-thioacylhydroxylamines. Nucleophilic substitution or single electron transfer process?
PublicationUdowodniono, że dipodstawione lub sterycznie przeszkodzone hydroksyloaminy reagują z przestrzennie rozbudowanymi S-tioacyloditiofosforanami dając odpowiednie O-tioacylohydroksyloaminy. Dalsza reakcja O-tioacylohydroksyloaminy z kwasem ditiofosforowym prowadzi do powstania disiarczku acylowo tiofosfo-rylowego oraz soli amoniowej kwasu ditiofosforowego. Wpływ pułapek rodnikowych na wydajność tej reakcji świadczy dobitnie, że w procesie...
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Prediction of Thymine Dimer Repair by Electron Transfer from Photoexcited 8-Aminoguanine or Its Deprotonated Anion
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The importance of anchoring ligands of binuclear sensitizers on electron transfer processes and photovoltaic action in dye-sensitized solar cells
PublicationThe relatively low photon-to-current conversion efficiency of dye-sensitized solar cells is their major drawback limiting widespread application. Light harvesting, followed by a series of electron transfer processes, is the critical step in photocurrent generation. An in-depth understanding and fine optimization of those processes are crucial to enhance cell performance. In this work, we synthesize two new bi-ruthenium sensitizers...
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublicationThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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UV-induced electron transfer between triethylamine and 5-bromo-2′-deoxyuridine. A puzzle concerning the photochemical debromination of labeled DNA
Publication5-Bromo-2'-deoxyuridine (BrdU) photosensitizes DNA to strand break formation. However, this type of photodamage is completely quenched by the presence of triethylamine (TEA) which originates from RP-HPLC purification commonly employed by oligonucleotide providers. While the presence of TEA in oligonucleotide samples does not interfere with PCR or other molecular biology applications, the mechanism of photochemical reaction proceeding...
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Quantitative structure activity relationships for the electron transfer reactions ofAnabaenaPCC 7119 ferredoxin-NADP+oxidoreductase with nitrobenzene and nitrobenzimidazolone derivatives: mechanistic implications
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Thymine dimer repair by electron transfer from photo-excited 2′,3′,5′-tri-O-acetyl-8-oxo-7,8-dihydroguanosine or 2′,3′,5′-tri-O-acetyl-ribosyluric acid – a theoretical study
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Reversible electron charge transfer in single-wall carbon nanotubes
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Possible mechanisms for protecting NCα bonds in helical peptides from electron-capture (or transfer) dissociation
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Novel Approach to Mo93m Isomer Depletion: Nuclear Excitation by Electron Capture in Resonant Transfer Process
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Mo93m isomer depletion via nuclear excitation by electron capture in resonant transfer into highly excited open-shell atomic states
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Intramolecular Proton Transfer in the Radical Anion of Cytidine Monophosphate Sheds Light on the Sensitivities of Dry vs Wet DNA to Electron Attachment-Induced Damage
PublicationSingle-strand breaks (SSBs) induced via electron attachment were previously observed in dry DNA under ultrahigh vacuum (UHV), while hydrated electrons were found not able to induce this DNA damage in an aqueous solution. To explain these findings, crossed electron-molecular beam (CEMB) and anion photoelectron spectroscopy (aPES) experiments coupled to density functional theory (DFT) modeling were used to demonstrate the fundamental...
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Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions
PublicationMechanisms of charge transport in molecular junctions involving hydrogen bonds are complex and remain mostly unclear. This study is focused on the elucidation of the electron transfer in a molecular device consisting of two boron-doped diamond interfaces bound with an aromatic linker and a hydrogen bonding surrogating molecule. The projected local density of states (PLODS) analysis coupled with transmission spectra and current−voltage...
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Low energy elastic electron scattering from benzonitrile (C6H5CN)
PublicationWe present experimental differential elastic scattering cross sections (DCSs) for low energy electron scattering from benzonitrile along with integral and momentum-transfer cross sections that are determined from these DCSs. The measurements of DCSs are obtained using the relative flow method with helium as the standard gas, in a crossed electron-molecular gas beam arrangement. Our measurements are made at incident electron energies...
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Carboxylation Enhances Fragmentation of Furan upon Resonant Electron Attachment
PublicationWe report a dissociative electron attachment study to 2-furoic acid (C5H4O3) isolated in a gas phase, which is a model molecule consisting of a carboxylic group and a furan ring. Dissociation of furan by low energy electrons is accessible only via electronic excited Feshbach resonances at energies of incident electrons above 5 eV. On the other hand, carboxylic acids are well- known to dissociate via attachment of electrons at subexcitation energies....
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Dissociative electron attachment and anion-induced dimerization in pyruvic acid
PublicationWe report partial cross sections for the dissociative electron attachment to pyruvic acid. A rich fragmentation dynamics is observed. Electronic structure calculations facilitate the identification of complex rearrangement reactions that occur during the dissociation. Furthermore, a number of fragment anions produced at electron energies close to 0 eV are observed, that cannot originate from single electron-molecule collisions....
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Low energy differential elastic electron scattering from acetonitrile (CH3CN)
PublicationMeasurements of elastic differential cross sections for electron scattering from acetonitrile (CH3CN) have been performed utilizing a crossed electron-molecular beam experiment and with the relative flow method, for the incident electron energy range of 0.7 eV–30 eV and the scattering angle range of 10◦–130◦. These differential cross sections have been used to calculate the elastic integral and momentum- transfer cross sections,...
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Joint experimental and theoretical study on electron scattering from titanium tetrachloride (TiCl4) molecule
PublicationAbsolute grand-total cross section for electron scattering from titanium tetrachloride, TiCl4, molecule was measured at electron-impact energies ranging from 0.3 to 300 eV, in the linear electron-transmission experiment. The elastic integral, differential, momentum transfer, and total ionization cross sections for TiCl4 molecule were also calculated for low and intermediate collisional energies at the level of various theories. The...
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Enabling simultaneous redox transformation of toxic chromium(VI) and arsenic(III) in aqueous media—A review
PublicationSimultaneous conversion of most harmful As(III) and Cr(VI) to their less toxic counterparts is environmentally desirable and cost-effective. It has been confirmed that simultaneous oxidation of As(III) to As(V) and reduction of Cr(VI) to Cr(III) can occur via free radical or mediated electron transfer processes. While Cr(VI) is reduced by reacting with H•, eaq−, photoelectron directly or undergoing ligand exchange with H2O2 and...
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Low to intermediate energy elastic electron scattering from dichloromethane (CH2Cl2)
PublicationWe report a theoretical-experimental investigation of electron scattering by dichloromethane (CH2Cl2) in the low- and intermediate energy ranges. Experimental elastic differential cross sections (DCS), in the incident electron energy range of 0.5-800 eV and scattering angle range of 10°–130°, were measured using a crossed beam relative flow technique. Integral and momentum- transfer cross sections were determined from the experimental...
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Electron impact iozization of CCl4 and SF6 embedded in superfluid helium droplets
PublicationElectron impact ionization of helium nano-droplets containing several 104 He atoms and doped with CCl4 or SF6 molecules is studied with high-mass resolution. The mass spectra show significant clustering of CCl4 molecules, less so for SF6 under our experimental conditions. Positive ion efficiency curves as a function of electron energy indicate complete immersion of the molecules inside the helium droplets in both cases. For CCl4...
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Interaction of 4-nitrothiophenol with low energy electrons: Implications for plasmon mediated reactions
PublicationThe reduction of 4-nitrothiophenol (NTP) to 4-4′-dimercaptoazobenzene (DMAB) on laser illuminated noble metal nanoparticles is one of the most widely studied plasmon mediated reactions. The reaction is most likely triggered by a transfer of low energy electrons from the nanoparticle to the adsorbed molecules. Besides the formation of DMAB, dissociative side reactions of NTP have also been observed. Here, we present a crossed electron-molecular...
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Unraveling Luminescent Energy Transfer Pathways: Futuristic Approach of Miniature Shortwave Infrared Light-Emitting Diode Design
Open Research DataPhosphor-converted shortwave infrared phosphor light-emitting diodes (pc-SWIR LEDs, 900–1700 nm) are promising next-generation portable light sources for spectroscopy, security, optical communication, and medical applications. A typical design strategy involves energy transfer from Cr3+ to Ni2+, and thus, energy transfer from Cr3+–Cr3+ pairs to Ni2+...
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Electron-Induced Decomposition of 5-Bromo-4-thiouracil and 5-Bromo-4-thio-2′-deoxyuridine: The Effect of the Deoxyribose Moiety on Dissociative Electron Attachment
PublicationWhen modified uridine derivatives are incorporated into DNA, radical species may form that cause DNA damage. This category of molecules has been proposed as radiosensitizers and is currently being researched. Here, we study electron attachment to 5-bromo-4-thiouracil (BrSU), a uracil derivative, and 5-bromo-4-thio-20 -deoxyuridine (BrSdU), with an attached deoxyribose moiety via the N-glycosidic (N1-C) bond. Quadrupole mass spectrometry...
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Elastic electron scattering and vibrational excitation of isoxazole molecules in the energy range from 2 to 20 eV
PublicationDifferential cross sections for elastic electron scattering and the excitation of the C-H vibrational modes of isoxazole molecules were measured in the energy range from 2 to 20 eV and over the scattering angle range from 10◦ to 180◦. The cross sections at the scattering angles of and above 90◦ were accessible with the use of a magnetic angle changer. The differential cross sections were integrated to yield integral and momentum...
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GaN Nanowire Array for Charge Transfer in Hybrid GaN/P3HT:PC71BM Photovoltaic Heterostructure Fabricated on Silicon
PublicationAbstract: We demonstrate that a GaN nanowire array can be used for efficient charge transfer between the organic photovoltaic layer and silicon in a Si/GaN/P3HT:PC71BM inverted hybrid heterostructure. The band alignment of such a material combination is favorable to facilitate exciton dissociation, carrier separation and electron transport into Si. The ordered nature of the GaN array helps to mitigate the intrinsic performance...
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Optoelectronic properties of curved carbon systems
PublicationSystematic investigation of optoelectronic properties of curved carbon systems has been performed and the results have been compared with the representatives of flat carbon systems. Moreover, the application of third order dispersion corrected density functional tight binding method (with third order corrections of self-consistent charges) including Becke-Johnson dumping (DFTB3-D3(BJ)) has been validated in order to obtain reliable...
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In situ spectroelectrochemical and theoretical study on the oxidation of a 4H-imidazole-ruthenium dye adsorbed on nanocrystalline TiO2thin film electrodes
PublicationTerpyridine 4H-imidazole-ruthenium(ii) complexes are considered promising candidates for use as sensitizers in dye sensitized solar cells (DSSCs) by displaying broad absorption in the visible range, where the dominant absorption features are due to metal-to-ligand charge transfer (MLCT) transitions. The ruthenium(iii) intermediates resulting from photoinduced MLCT transitions are essential intermediates in the photoredox-cycle...
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Unravelling the role of electron–hole pair spin in exciton dissociation in squaraine-based organic solar cells by magneto-photocurrent measurements
PublicationA high absorption coefficient and narrow absorption bands in squaraine (SQ) dyes have resulted in rapidly growing interest in them as a donor material in photovoltaic devices. The exciton dissociation process in organic systems proceeds via a multistep mechanism where the electron–hole pairs (charge transfer states) involved in the current generation process determine the recombination losses and subsequently limit the overall...
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Low energy elastic scattering of electrons from hexafluoropropene (C3F6)
PublicationWe present cross sections from a joint experimental and theoretical study on elastic electron scattering from hexafluoropropene (C3F6) in the gas phase. The experimental results, using low energy electron spectroscopy, were obtained at incident electron energies of 0.5, 1, 1.5, 2, 3, 4, 5, 6, 10, 12, 15 and 20 eV, for scattering angles ranging from 10°to 130°. The theoretical method used in the computation of the integral, momentum...
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High catalytic performance of laccase wired to naphthylated multiwall carbon nanotubes
PublicationThe direct electrical connection of laccase on the electrode surface is a key feature in the design of efficient and stable biocathodes. However, laccases can perform a direct electron transfer only when they are in the preferable orientation toward the electrode. Here we report the investigation of the orientation of Laccase from Amano on multi-walled carbon nanotube surface modified with naphthalene group. Naphthylated multi...
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Anaerobic consortia mediate Mn(IV)-dependent anaerobic oxidation of methane
PublicationManganese-dependent anaerobic oxidation of methane (Mn-AOM) is a major methane sink and vital to mitigating global warming. However, it is difficult for microorganisms to mediate electron transfer between the hardly dissolved CH4 and insoluble Mn(IV) minerals, leading to poor understanding of species mediating Mn-AOM. This study successfully enriched an anaerobic consortium mediating AOM driven by Mn-dependent respiratory growth,...
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Joint experimental and theoretical study on low-energy elastic electron scattering by gaseous alkynes: Differential cross sections, shape resonances, and methylation effects
PublicationA detailed comparison of experimental and theoretical elastic cross sections for low-energy electron scattering by ethyne, taken earlier in our group by Gauf et al. [Phys. Rev. A 87, 012710 (2013)], and some of its methylated derivatives, propyne, and the isomers 1-butyne and 2-butyne, taken here, are presented. The present differential cross sections were measured at incident electron energies ranging from 1 eV to 30 eV and...
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Ni-based compounds in multiwalled graphitic shell for electrocatalytic oxygen evolution reactions
Open Research DataThis study investigates Ni-based compounds (Ni, NiO, Ni3C) coated with a graphitic shell as electrocatalysts for the oxygen evolution reaction (OER). Electron paramagnetic resonance (EPR) and X-ray diffraction (XRD) are employed to identify the presence and contribution of Nickel ions (Ni0, Ni2+, Ni3+) and determine the phase composition. Electrochemical...
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Synthesis of isotactic polypropylene- block -polystyrene block copolymers as compatibilizers for isotactic polypropylene/polyphenylene oxide blends
PublicationPoly(2,6-dimethyl-1,4-phenylene oxide) (PPO) and isotactic polypropylene (iPP) are highly incompatible and consequently their uncompatibilized blends are quite brittle regardless of the molecular weights and ductility of the individual components. Isotactic polypropylene-polystyrene block copolymers, to be applied as compatibilizers for a broad range of PPO/iPP blend compositions, were prepared by mechanism transformation from...
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Synergic Effect of Naphthylated Carbon Nanotubes and Gold Nanoparticles on Catalytic Performance of Hybrid Films Containing Bilirubin Oxidase for the Dioxygen Reduction
PublicationTo improve the direct electron transfer from a multicopper oxidase MvBOd to the glassy carbon electrode surface the naphthylated multiwall carbon nanotubes (Napht-MWCNTs) are ombined with gold nanoparticles (AuNPs) to form a conductive network at the electrode and to increase its working surface. Such approach allowed to eliminate the necessity of employing mediators to reach elevated current values. The enzyme stability was improved...
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Insight into (Electro)magnetic Interactions within Facet-Engineered BaFe12O19/TiO2 Magnetic Photocatalysts
PublicationA series of facet-engineered TiO2/BaFe12O19 composites were synthesized through hydrothermal growth of both phases and subsequent deposition of the different, faceted TiO2 nanoparticles onto BaFe12O19 microplates. The well-defined geometry of the composite and uniaxial magnetic anisotropy of the ferrite allowed alternate interfaces between both phases and fixed the orientation between the TiO2 crystal structure and the remanent...
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Rozdział 10.2 Metody oznaczania właściwości przeciwutleniających próbek żywności
PublicationWystępowanie większości chorób cywilizacyjnych może być rezultatem stresu oksydacyjnego prowadzącego do różnorodnych zmian w ludzkim organizmie, wywołanych działaniem tzw. reaktywnych form tlenu. Z tego też powodu pojawiło się olbrzymie zapotrzebowanie na szybkie testy umożliwiające pomiar całkowitej zawartości przeciwutleniaczy czy też ogólnej siły przeciwutleniającej produktów żywnościowych a w szczególności świeżych warzyw...
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Photophysics of a Ruthenium 4H-Imidazole Panchromatic Dye in Interaction with Titanium Dioxide
PublicationThe photophysics of bis(4,4′-di-tert-butyl-2,2′-bipyridine-κ2N,N′)[2-(4-carboxyphenyl)-4,5-bis(p-tolylimino-κN)imidazolato]ruthenium(II) hexafluorophosphate is investigated, both in solution and attached to a nanocrystalline TiO2 film. The studied substitution pattern of the 4H-imidazole ligand is observed to block a photoinduced structural reorganization pathway within the 4H-imidazole ligand that has been previously investigated....
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublicationThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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The effects of bifunctional linker and reflux time on the surface properties and photocatalytic activity of CdTe quantum dots decorated KTaO3 composite photocatalysts
PublicationNovel CdTe-KTaO3composite photocatalysts were successfully synthesized by using thioglycolic acid(TGA) or 3-mercaptopropionic acid (MPA) as linker molecules which facilitated attachment of CdTequantum dots to the surface of KTaO3nanocubes. The as-prepared photocatalysts were characterizedby UV–vis diffuse reflectance spectroscopy (DRS), X-ray diffraction (XRD), scanning electron microscopy(SEM), transmission electron microscopy...
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Elastic scattering of electrons from chloroform
PublicationWe present experimental and theoretical cross sections for elastic electron scattering from CHCl3. This is an important target because of its relevance to environmental chemistry and the plasma etching industry as a source of chlorine radicals. The experimental results were obtained at incident electron energies ranging from 0.5 to 800 eV in the 10deg-130deg scattering angle range. Theoretically, the scattering cross sections in...
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The Influence of Titania Electrode Modification with Lanthanide Ions Containing Thin Layer on the Performance of Dye-Sensitized Solar Cells
PublicationThe lanthanide and scandium groups ions (except Pm and Ac) have been used as dopants of TiO2 film in dye-sensitized solar cells. The X-ray diffraction spectra show that the modification has no influence on the structure of the electrode; however, the diffuse reflectance UV-Vis measurements exhibit significant changes in the electronic properties of modified electrodes. The appearance of energy barrier preventing photoexcited electron...
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Photophysics and Halide Quenching of Soret-excited ZnTPPS4- in Aqueous Media
PublicationSteady state S2-S0 and S1-S0 absorption and emission spectra and picosecond S2 decay and S1 fluorescence rise times have been measured for the model porphyrin ZnTPPS4− in water and in aqueous iodide solutions of constant ionic strength. The dynamics of S1 quenching by iodide are well-modeled by a Stern-Volmer mechanism yielding kQ = 1.75 × 109 M−1 s−1. The S2 state is quenched on a ps time scale by a static electron-transfer mechanism...
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Images revealing the effect of local femtosecond laser ablation of conductive poly(lactic acid) 3D printed electrodes
Open Research DataThe dataset reveals the images of the femtosecond laser (FSL) ablation at the surface of commercially available carbon black-filled poly(lactic acid) 3D printed electrode. The process is used for the increase of the charge transfer of this electrode in electrochemical studies.
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Polycyclic aromatic hydrocarbons as test probes to investigate the retention behavior of 1,3-alternate calix[4]arene silica-bonded stationary phases
PublicationA series of polycyclic aromatic hydrocarbons (PAHs) of different size and shape has been used to characterize the chromatographic behavior of five calix[4]arene stationary phases in 1,3-alternate conformation synthesized in our laboratory. The selection of linear, fourring nonlinear, and five-ring PAHs gave data on selectivity changes across range of the calix[4]arene columns. Retention of the 12 aromatic solutes has been evaluated...
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Theoretical and experimental study on scattering of low-energy electrons by dimethyl and diethyl ethers
PublicationWe report a joint theoretical and experimental investigation on low-energy electron scattering by dimethyl and diethyl ethers. The experimental elastic differential cross sections were measured at impact energies from 1 eV up to 30 eV and scattering angle range of 10◦ to 130◦. Theoretical elastic differential, integral and momentum-transfer cross sections are calculated at impact energies up to 30 eV, employing the Schwinger multichannel...
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Electrochemical performance of thin free-standing boron-doped diamond nanosheet electrodes
PublicationIn the following work we describe preparation and the electrochemical performance of thin and free-standing heavy boron-doped diamond (BDD) nanosheets. The investigated foils were deposited on Ta substrate using microwave plasma-enhanced chemical vapor deposition technique (MPECVD). Foils of two B-dopant densities were investigated, obtained on the base of 10 k and 20 k ppm [B]/[C] ratio in the gas admixture. The obtained foils...
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The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study
PublicationWe report a linear-scaling density functional theory (DFT) study of the structure, wall-polarization absolute band-alignment and optical absorption of several, recently synthesized, open-ended imogolite (Imo) nanotubes (NTs), namely single-walled (SW) aluminosilicate (AlSi), SW aluminogermanate (AlGe), SW methylated aluminosilicate (AlSi-Me), and double-walled (DW) AlGe NTs. Simulations with three different semi-local and dispersion-corrected...
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Hierarchical MnO2 nanoflowers blooming on 3D nickel foam: A novel micro-macro catalyst for peroxymonosulfate activation
PublicationIn this work, birnessite-type δ-MnO2 nanoflowers were uniformly deposited on 3D nickel foam (NF) by one-step hydrothermal route for high-efficient activation of peroxymonosulfate (PMS) towards degradation of acid orange 7 (AO7). High specific surface area, large pore volume and 3D hierarchical structure promotes the mass and electron transfer for great catalytic activity. Low reaction energy barrier (Ea=27.5 kJ/mol) and outstanding...
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Synthesis and hydrogen evolving catalysis of a panchromatic photochemical molecular device
PublicationA dinuclear hydrogen evolution photocatalyst [(tbbpy)2Os(tpphz)PtI2](PF6)2 (tbbpy = 4,4′-tert-butyl-2,2′-bipyridine; tpphz = tetrapyrido[3,2-a:2′,3′-c:2′′,3′′-h:2′′′,3′′′-j]phenazine) is synthesized in order to make use of the broader range of visible light absorption mitigated by the osmium center. In a first step, the activity of the complex for hydrogen evolution is investigated by evaluating the role of different electron donors...
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Direct determination of paraquat herbicide by square-wave voltammetry by two-step transfer mechanism at heterogeneous boron-doped carbon nanowall electrodes
PublicationBoron-doped carbon nanowalls (B:CNW) versus boron-doped diamond (BDD) materials were investigated for the effective electrochemical detection of highly toxic herbicide paraquat (PQ). Depending on the surface morphology and functional groups of BDD and B:CNWs, the electrochemical absorption and detection of the target analyte PQ revealed different detection mechanisms. The surface absorption mechanism was mainly observed for BDD,...
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Enhanced photocatalytic activity of accordion-like layered Ti3C2 (MXene) coupled with Fe-modified decahedral anatase particles exposing {1 0 1} and {0 0 1} facets
PublicationNew composites consisting of decahedral anatase particles exposing {001} and {101} facets coupled with accordion-like layered Ti3C2 with boosted photocatalytic activity towards phenol and carbamazepine degradation were investigated. The photocatalysts were characterized with X-ray diffraction (XRD), diffuse reflectance spectroscopy (DR/UV–Vis), Brunauer-Emmett-Teller (BET) specific surface area, Raman spectroscopy, scanning electron...
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Hybrid battery based on arylated carbon nanotubes and laccase
PublicationSingle-walled carbon nanotubes (SWCNT) were covalently modified with anthracene and anthraquinone and used for the construction of cathodes for biocatalytic reduction of dioxygen. The nanotubes with aromatic groups casted onto the electrode increased the working surface of the electrode and enabled efficient direct electron transfer (DET) between the enzyme and the electrode. The aryl groups enter the hydrophobic pocket of the...
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Single-step grown boron doped nanocrystalline diamond-carbon nanograss hybrid as an efficient supercapacitor electrode
PublicationDirect synthesis of nano-structured carbon hybrid consisting of vertically aligned carbon nanograss on top of boron-doped nanocrystalline diamond is demonstrated and the carbon hybrid is further applied as an electrode material for the fabrication of supercapacitor. The hybrid film combines the dual advantages of sp2 (carbon nanograss) and sp3 (nanocrystalline diamond) bonded carbon, possessing not only the excellent electrical...
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Imaging of biological samples: crassula arborescens
Open Research DataOne of the tasks of modern botany is to describe the relationship between climatic conditions and other environmental factors and the anatomical structure and adaptation of species present in given geographic areas. The work [1] focuses on anatomical and morphological studies of leaves of plants from the coarse family. Species tested belong to leaf...
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Photophysics of Untethered ZnTPP-Fullerene Complexes in Solution
PublicationThe spectroscopy and dynamic behavior of the self-assembled, Soret-excited zinc tetraphenylporphyrin (ZnTPP) plus fullerene (C60) model system in solution has been examined using steady state fluorescence quenching, nanosecond time-correlated single photon counting, picosecond fluorescence upconversion, and picosecond transient absorption methods. Evidence of ground state complexation is presented. Steady-state quenching of the...
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Synchrotron radiation photoemission spectroscopy of the oxygen modified CrCl3 surface
PublicationWe investigate the experimentally challenging CrCl3 surface by photon energy dependent photoemission (PE). The core and valence electrons after cleavage of a single crystal, either in a ultrahigh vacuum (UHV) or in air, are studied by keeping the samples at 150 1C, aiming at confirming the atomic composition with respect to the expected bulk atomic structure. A common spectroscopic denominator revealed by data is the presence of...
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Photocatalytic and Antimicrobial Properties of Ag2O/TiO2 Heterojunction
PublicationAg2O/TiO2 heterojunctions were prepared by a simple method, i.e., the grinding of argentous oxide with six different titania photocatalysts. The physicochemical properties of the obtained photocatalysts were characterized by diffuse-reflectance spectroscopy (DRS), X-ray powder diffraction (XRD) and scanning transmission electron microscopy (STEM) with an energy dispersive X-ray spectroscopy (EDS). The photocatalytic activity was...
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Enhanced electrochemical kinetics of highly-oriented (111)-textured boron-doped diamond electrodes induced by deuterium plasma chemistry
PublicationNovel highly-oriented (111)-textured boron-doped diamond electrodes (BDDD) featuring high electrochemical activity and electrode stability toward electrochemical analytics were fabricated by deuterium-rich microwave plasma CVD. The high flux deuterium plasma-induced preferential formation of (111)-faceted diamond as revealed by XRD. The highly-oriented diamond surface exhibited improved boron dopant incorporation and activation,...
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5-Bromo-2′-deoxycytidine—a potential DNA photosensitizer
PublicationA double-stranded oligonucleotide, 80 base pairs in length, was multiply labeled with 5-bromo-2′-deoxycytidine (BrdC) using polymerase chain reaction (PCR). The modified oligonucleotide was irradiated with 300 nm photons and its damage was assayed by employing DHPLC, LC-MS and denaturing polyacrylamide gel electrophoresis (PAGE). Two types of damage were demonstrated, namely, single strand breaks (SSBs) and intrastrand cross-links...
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Low-energy positron collisions with water: elastic and rotationally inelastic scattering
PublicationDifferential, integral and momentum transfer cross sections for the vibrationally elastic and rotationally inelastic scattering of positrons from water at low collision energy (E ≤ 10 eV) are reported. Several models within the R-matrix method are used to compute the body-fixed T-matrices, while the scattering calculations are performed within the fixed-nuclei approximation corrected with the standard Born-closure formula. These...
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MOF/TiO2 erythrocyte-like heterostructures decorated by noble metals for use in hydrogen photogeneration and pollutant photodegradation
PublicationVarious metal–organic framework (MOF)/TiO2 heterostructures can be obtained by the partial hydrolysis or calcination of Ti-based MOFs. By adjusting the hydrolysis and calcination steps of NH2-MIL-125 (Ti), a novel photoactive material composed of a MOF (NH2-MIL-125 (Ti)) and TiO2, with a unique “erythrocyte” shape, was developed. Furthermore, modification of the composition prepared by the partial hydrolysis of NH2- MIL-125 (Ti)...
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Metody oznaczania in vitro właściwości przeciwutleniających próbek żywności. Cz. I
PublicationWystępowanie większości chorób cywilizacyjnych może być rezultatem stresu oksydacyjnego prowadzącego do różnorodnych zmian w ludzkim organizmie, wywołanych działaniem tzw. reaktywnych form tlenu. Z tego też powodu pojawiło się olbrzymie zapotrzebowanie na szybkie testy umożliwiające pomiar całkowitej zawartości przeciwutleniaczy czy też ogólnej siły przeciwutleniającej produktów żywnościowych a w szczególności świeżych warzyw...
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Hybrid cross-linked chitosan/protonated-proline:glucose DES membranes with superior pervaporation performance for ethanol dehydration
PublicationThis work explores a protonated L-proline:glucose (molar ratio 5:1) deep eutectic solvent (DES) in fabricating biopolymer membranes utilizing chitosan (CS). Initially, the miscibility of CS and DES to prepare homogeneous dense blend membranes has been investigated. Different techniques, such as scanning electron microscopy, contact angle (CA), atomic force microscopy (AFM), Fourier transformed infrared spectroscopy (FTIR) and swelling...
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Redox property switching in MOFs with open metal sites for improved catalytic hydrogenation performance
PublicationIn this study, a decompression-thermalization strategy was utilized for a Cu-containing metal-organic framework (MOF) to tune its redox and catalytic hydrogenation properties. Remarkably, at just 120 °C, open metal sites (OMSs) were successfully constructed by removing coordinated solvent molecules to generate the daughter MOF-120. The tailored redox property of MOF-120 is correlated with the presence of OMSs. Compared with the...
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Redox State Sensitive Spectroscopy of the Model Compound [(H-dcbpy)(2)Ru-II(NCS)(2)](2-) (dcbpy=2,2 '-Bipyridine-4,4 '-dicarboxylato)
PublicationThe charge transfer reaction mechanism in a ruthenium polypyridine model complex with isothiocyanato ligands, i.e., [(H-dcbpy)(2)Ru(NCS)(2)](2-) 2Bu(4)N(+) (Ru2H) (dcbpy = 2,2'-bipyridine-4,4'-dicarboxylato), has been investigated by combining UV-vis absorption, resonance Raman spectroscopy, and electrochemical methods. Understanding the photophysics of light-harvesting complexes of this class is an indispensable prerequisite to...
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The role of electrolysis and enzymatic hydrolysis treatment in the enhancement of the electrochemical properties of 3D-printed carbon black/poly(lactic acid) structures
PublicationAdditive manufacturing, also known as 3D printing, is beginning to play an unprecedented role in developing many applications for industrial or personalized products. The conductive composite structures require additional treatment to achieve an electroactive surface useful for electrochemical devices. In this paper, the surfaces of carbon black/poly(lactic acid) CB-PLA printouts were activated by electrolysis or enzymatic digestion...
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Performance of microbial fuel cells operated under anoxic conditions
PublicationNowadays, microbial fuel cells (MFC) stand up as a promising renewable energy source. Due to the ability of the MFC to oxidize a wide spectrum of substrates, wastewater seems to be one of the most interesting fuels. Unfortunately, wastewater could contain electron acceptors such as nitrate, which could interfere with the electrical performance of the MFC. In this work, the influence of oxidised nitrogen forms on the electricity...
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Mechanisms of Damage to DNA Labeled with Electrophilic Nucleobases Induced by Ionizing or UV Radiation
PublicationHypoxia—a hallmark of solid tumors—makes hypoxic cells radioresistant. On the other hand, DNA, the main target of anticancer therapy, is not sensitive to the near UV photons and hydrated electrons, one of the major products of water radiolysis under hypoxic conditions. A possible way to overcome these obstacles to the efficient radio- and photodynamic therapy of cancer is to sensitize the cellular DNA to electrons and/or ultraviolet...
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Photosensitization of TiO2 and SnO2 by Artificial Self-Assembling Mimics of the Natural Chlorosomal Bacteriochlorophylls
PublicationOf all known photosynthetic organisms, the green sulfur bacteria are able to survive under the lowest illumination conditions due to highly efficient photon management and exciton transport enabled by their special organelles, the chlorosomes, which consist mainly of self-assembled bacteriochlorophyll c, d, or e molecules. A challenging task is to mimic the principle of self-assembling chromophores in artificial light-harvesting...
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Fragmentation of Tetrahydrofuran Molecules by H+, C+, and O+ Collisions at the Incident Energy Range of 25–1000 eV
PublicationWe have studied fragmentation processes of the gas-phase tetrahydrofuran (THF) molecules in collisions with the H+, C+, and O+ cations. The collision energies have been varied between 25 and 1000 eV and thus covered a velocity range from 10 to 440 km/s. The following excited neutral fragments of THF have been observed: the atomic hydrogen H(n), n = 4–9, carbon atoms in the 2p3s 1P1, 2p4p 1D2, and 2p4p 3P states and vibrationally...
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Exploring the cocrystallization potential of urea and benzamide
PublicationThe cocrystallization landscape of benzamide and urea interacting with aliphatic and aromatic carboxylic acids was studied both experimentally and theoretically. Ten new cocrystals of benzamide were synthesized using an oriented samples approach via a fast dropped evaporation technique. Information about types of known bi-component cocrystals augmented with knowledge of simple binary eutectic mixtures was used for the analysis...
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Beyond Antioxidant Activity: Redox Properties of Catechins May Affect Changes in the DNA Methylation Profile—The Example of SRXN1 Gene
PublicationThe role of catechins in the epigenetic regulation of gene expression has been widely studied; however, if and how this phenomenon relates to the redox properties of these polyphenols remains unknown. Our earlier study demonstrated that exposure of the human colon adenocarcinoma HT29 cell line to these antioxidants affects the expression of redox-related genes. In particular, treatment with (−)-epigallocatechin (EGC) downregulated...
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Copolymerization of Styrene and Pentadecylphenylmethacrylate (PDPMA): Synthesis, Characterization, Thermomechanical and Adhesion Properties
PublicationThe copolymerization of styrene (St) with a bioderived monomer, pentadecylphenylmethacrylate (PDPMA), via atom transfer radical polymerization (ATRP) was studied in this work.The copolymerization reactivity ratio was calculated using the composition data obtained from1HNMR spectroscopy, applying Kelen-Tudos and Finemann-Ross methods. The reactivity ratio of styrene (r1=0.93) and PDPMA (r2=0.05) suggested random copolymerization...
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Cu-Doped Layered Double Hydroxide Constructs the Performance-Enhanced Supercapacitor Via Band Gap Reduction and Defect Triggering
PublicationLayered double hydroxides (LDHs) are regarded as the excellent electrode materials for supercapacitors because of their high theoretical capacitance and abundance. However, the poor conductivity and limited reaction kinetics of LDHs restrict their practical application severely. Herein, Cu is chosen from groups VIII/IB/IIB as dopants for Co-based LDH (CuCo-LDH). The designed metal–organic framework-derived hierarchical CuCo-LDH...
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The effect of metal cluster deposition route on structure and photocatalytic activity of mono- and bimetallic nanoparticles supported on TiO2 by radiolytic method
PublicationTiO2 (P25) was modified with small and relatively monodisperse mono- and bimetallic clusters (Ag, Pd, Pt, Ag/Pd, Ag/Pt and Pd/Pt) induced by radiolysis to improve its photocatalytic activity. The as-prepared samples were characterized by X-ray fluorescence spectrometry (XRF), photoluminescence spectrometry (PL), diffuse reflectance spectroscopy (DRS), X-ray powder diffractometry (XRD), scanning transition electron microscopy (STEM)...
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Photovoltaic bulk heterojunctions with interpenetrating network based on semiconducting polymers
PublicationPhotovoltaic cells are supposed to be the most common generators of useful electricity in the nearest future as they utilize inexhaustible carriers of renewable energy called photons. Despite the fact that 95% of worldwide applied photovoltaic devices are based on inorganic semiconductors the area of organic photovoltaics grows successively due to possibility of considerable reduction of manufacturing costs. Since the Heeger's...
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Ordered titanium templates functionalized by gold films for biosensing applications – Towards non-enzymatic glucose detection
PublicationRecently, metal nanostructures evoke much interest due to application potential in highly sensitive detectors in biochemistry and medical diagnostics. In this work we report on preparation and characteristics of thin (1–100 nm) Au films deposited onto highly ordered structured titanium templates for SERS (Surface Enhanced Raman Spectroscopy) and electrochemical sensing. The Ti templates are formed by selective removal of TiO2 nanotubes...
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Investigation of the electrochemical behaviour of AA1050 aluminium alloy in aqueous alkaline solutions using Dynamic Electrochemical Impedance Spectroscopy
PublicationThe paper presents the electrochemical behaviour of aluminium alloy AA1050 in aqueous alkaline media in the pH range 14–8.5. Electrochemical study was applied in order to obtain comprehensive information on the mechanism and kinetics of the process of anodic dissolution of aluminium, supplemented by monitoring of surface topography using an electron microscope. The corrosion rate of AA1050 increases with increasing concentration...
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Electrochemical, theoretical and surface physicochemical studies of the alkaline copper corrosion inhibition by newly synthesized molecular complexes of benzenediamine and tetraamine with π acceptor
PublicationTwo charge transfer complexes, namely [(BDAH)+(PA−)] CT1 [(BTAH)2+(PA−)2] and CT2 (BDAH = 1,2-benzenediamine, BTAH = 1,2,4,5-benzenetetramine, and PA− = 2,4,6-trinitrophenolate), were synthesized and fully characterized using various spectroscopic techniques. CT1 and CT2 were tested as inhibitors to effectively control the uniform and anodic corrosion processes of copper in an alkaline electrolyte (1.0 M KOH) using various electrochemical...
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A novel (Ti/Ce)UiO-X MOFs@TiO2 heterojunction for enhanced photocatalytic performance: Boosting via Ce4+/Ce3+ and Ti4+/Ti3+ redox mediators
PublicationTitanium-substituted cerium-oxo-based UiO MOFs with terephthalate linkers modified by various groups (–Br, –NH2, –NO2) or their derivatives (N-heterocyclic or biphenyl groups) were combined with titanium dioxide in a multistep route to obtain a core-shell-like architecture. DFT simulations showed that Ce- and bimetallic Ti/Ce- MOFs exhibited different charge compensation. Extended characterization revealed the formation of heterojunctions between...
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Enhanced stability of electrochemical performance of few-layer black phosphorus electrodes by noncovalent adsorption of 1,4-diamine-9,10-anthraquinone
PublicationIn this paper, the novel noncovalent functionalisation strategy of few-layer black phosphorus by 1,4-diamine-9,10-anthraquinone electrode was proposed and studied. The degradation of few-layer black phosphorus under exposure to oxygen and water is a significant obstacle to its use as an electroanalytical electrode. The anthraquinone compound adsorbed at black phosphorus flakes results in improved prevention of the phosphorus surface...
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Low-strain sensor based on the flexible boron-doped diamond-polymer structures
PublicationA free-standing high boron-doped diamond nanosheet (BDDNS) has been fabricated for the development of a flexible BDDNS strain senor. High boron-doped diamond was initially grown on a tantalum substrate in a microwave plasma-assisted chemical vapor deposition method, and was then transferred to a Kapton polymer substrate to fabricate the flexible BDDNS/Kapton device. Before performing the transfer process, the thin BDDNS’s morphology...
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Enhanced electrochemical activity of boron-doped nanocarbon functionalized reticulated vitreous carbon structures for water treatment applications
PublicationAn extraordinary charge transfer kinetics and chemical stability make a boron-doped diamond (BDD) a prom- ising material for electrochemical applications including wastewater treatment. Yet, with flat geometrical sur- faces its scaling options are limited. In this study, the reticulated Vitreous Carbon (RVC) served as a substrate for boron-doped diamondized nanocarbons (BDNC) film growth resulting with complex heterogeneity carbon structures...
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Investigation on polypropylene friction stir joint: effects of tool tilt angle on heat flux, material flow and defect formation
PublicationTool tilt angle (TTA) is a critical factor that can control material flow in polymeric materials' friction stir joining (FSJ). This study selected a TTA range between 0° to 4° for FSJ of polypropylene (PP) polymer sheet. A modified computational fluid dynamic (CFD) technique was implemented to gain a deep understanding of the effects of TTA during FSJ of PP. The PP joint's internal flow, defect formation, heat generation, and tensile...
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Highly Occupied Surface States at Deuterium-Grown Boron-Doped Diamond Interfaces for Efficient Photoelectrochemistry
PublicationPolycrystalline boron-doped diamond is a promising material for high-power aqueous electrochemical applications in bioanalytics, catalysis, and energy storage. The chemical vapor deposition (CVD) process of diamond forma-tion and doping is totally diversified by using high kinetic energies of deu-terium substituting habitually applied hydrogen. The high concentration of deuterium in plasma induces atomic arrangements and steric...
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Nickel-based catalysts for electrolytic decomposition of ammonia towards hydrogen production
PublicationNickel is an attractive metal for electrochemical applications because it is abundant, cheap, chemically resilient, and catalytically active towards many reactions. Nickel-based materials (metallic nickel, its alloys, oxides, hydroxides, and composites) have been also considered as promising electrocatalysts for ammonia oxidation. The electrolysis of ammonia aqueous solution results in evolution of gaseous hydrogen and nitrogen....
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Impedimetric sensing of α-amino acids driven by micro-patterned 1,8-Diazafluoren-9-one into titania- boron- doped maze-like nanocarbons
PublicationThe development of impedimetric, non-faradaic label-free sensors for the detection of α-amino acids constitutes a trailblazing technology for the fast and inexpensive quantification of such biomarkers. Since α-amino acids, such as glycine and sarcosine, are basic constituents in biological processes, a variation in their concentration may be an indicator of cardiovascular diseases and metabolic disorders or neurological conditions....