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Search results for: Local field potentials
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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
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Local and long range potentials for heparin‐protein systems for coarse‐grained simulations
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Non-relativistic quantum scattering from non-local separable potentials: the eignchannel approach
PublicationOstatnio sformułowana wersja metody kanałów własnych [R. Szmytkowski, Ann. Phys. (N.Y.) 311, 503 (2004)] została zastosowana do kwantowego rozpraszania cząstek Schroedingera na nielokalnych potencjałach separowalnych. Wektory kanałów własnych oraz ujemne kotangensy przesunięć fazowych zostały wprowadzone jako rozwiązania własne pewnego uogólnionego macierzowego zagadnienia na wartości własne, bez konieczności uprzedniej konstrukcji...
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A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation
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Discussion of Derivability of Local Residual Stress Level from Magnetic Stray Field Measurement
PublicationThe NDT procedure dubbed ‘metal magnetic memory’ method and the related ISO 24497 standard has found wide industrial acceptance in some countries, mainly in Russia and China. The method has been claimed by some researchers (Roskosz and Bieniek in NDT&E Int 45:55–62, 2012; Wilson et al. in Sens Actuators A 135:381–387, 2007) as having potential for quantitative determination of local residual stress state in engineering structures,...
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The accretion of the new ice layer on the surface of hexagonal ice crystal and the influence of the local electric field on this process
PublicationThe process of creation of a new layer of ice on the basal plane and on the prism plane of a hexagonal ice crystal is analyzed. It is demonstrated that the ordering of water molecules in the already existing crystal affects the freezing. On the basal plane, when the orientations of water molecules in the ice block are random, the arrangement of the new layer in a cubic manner is observed more frequently — approximately 1.7 times...
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Combined Single Neuron Unit Activity and Local Field Potential Oscillations in a Human Visual Recognition Memory Task
PublicationGOAL: Activities of neuronal networks range from action potential firing of individual neurons, coordinated oscillations of local neuronal assemblies, and distributed neural populations. Here, we describe recordings using hybrid electrodes, containing both micro- and clinical macroelectrodes, to simultaneously sample both large-scale network oscillations and single neuron spiking activity in the medial temporal lobe structures...
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Disturbances of magnetic field in surrounding of mobile, metallic plate. Detection of ferromagnetic objects in strong local magnetic anomaly
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Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field
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Wpływ cewek kompensujących na lokalne wartości pola własnego okrętu = Influence of compensation coils on local magnetic field of ship
PublicationObiekt ferromagnetyczny umieszczony w polu magnetycznym Ziemi powoduje lokalne zaburzenie równomierności rozkładu tego pola. Kształt i rozmiary zaburzenia zależy od wielu czynników, w tym m.in. od rozmiarów i kształtu obiektu, od jego właściwości ferromagnetycznych i od położenia względem wektora ziemskiego pola magnetycznego. W celu minimalizacji pola własnego okrętu na rzeczywistych obiektach umieszcza się uzwojenia kompensacyjne....
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Improvement of the Treatment of Loop Structures in the UNRES Force Field by Inclusion of Coupling between Backbone- and Side-Chain-Local Conformational States
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Special techniques and future perspectives: Simultaneous macro- and micro-electrode recordings
PublicationThere are many approaches to studying the inner workings of the brain and its highly interconnected circuits. One can look at the global activity in different brain structures using non-invasive technologies like positron emission tomography (PET) or functional magnetic resonance imaging (fMRI), which measure physiological changes, e.g. in the glucose uptake or blood flow. These can be very effectively used to localize active patches...
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Zero-range potentials for Dirac particles: Bound-state problems
PublicationA model in which a massive Dirac particle in $\mathbb{R}^{3}$ is bound by $N\geqslant1$ spatially distributed zero-range potentials is presented. Interactions between the particle and the potentials are modeled by subjecting a particle's bispinor wave function to certain limiting conditions at the potential centers. Each of these conditions is parametrized by a $2\times2$ Hermitian matrix (or, equivalently, a real scalar and a...
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Structure and properties of liquid Al–Cu alloys: Empirical potentials compared
PublicationWe report on the structure and mass transport properties of liquid Al–Cu alloys predicted by two recently-developed empirical many-body potentials: MEAM (Jelinek et al., 2012) and EAM-ADP (Apostol and Mishin, 2011), and by the well-known Gupta potential. Total and partial pair correlation functions, angular distribution functions, densities, coordination numbers and self-diffusion coefficients are compared with published experimental...
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Positron-electron correlation-polarization potentials for the calculation of positron collisions with atoms and molecules
PublicationWe present correlation-polarization potentials for the calculation of scattering cross sections of positrons with atoms and molecules. The potentials are constructed from a short-range correlation term and a long-range polarization term. For the short-range correlation term we present four different potentials that are derived from multi-component density functionals. For the long-range polarization term we employ a multi-term...
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Dissecting gamma frequency activities during human memory processing
PublicationGamma frequency activity (30-150 Hz) is induced in cognitive tasks and is thought to reflect underlying neural processes. Gamma frequency activity can be recorded directly from the human brain using intracranial electrodes implanted in patients undergoing treatment for drug-resistant epilepsy. Previous studies have independently explored narrowband oscillations in the local field potential and broadband power increases. It is not...
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Integrable zero-range potentials in a plane
PublicationWe examine general statements in the Wronskian representation of Darboux transformations for plane zero-range potentials. Such expressions naturally contain scattering problem solution. We also apply Abel theorem to Wronskians for differential equations and link it to chain equations for Darboux transforms to fix conditions for further development of the underlying distribution concept. Moutard transformations give a convenient...
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Analytical calculations of scattering lengths for a class of long-range potentials of interest for atomic physics
PublicationWe derive two equivalent analytical expressions for an $l$th partial-wave scattering length $a_{l}$ for central potentials with long-range tails of the form % \begin{math} \displaystyle V(r)=-\frac{\hbar^{2}}{2m}\frac{Br^{n-4}}{(r^{n-2}+R^{n-2})^{2}} -\frac{\hbar^{2}}{2m}\frac{C}{r^{2}(r^{n-2}+R^{n-2})}, \end{math} % ($r\geqslant r_{s}$, $R>0$). % For $C=0$, this family of potentials reduces to the Lenz potentials discussed in...
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Reactivation of seizure‐related changes to interictal spike shape and synchrony during postseizure sleep in patients
PublicationOBJECTIVE: Local field potentials (LFPs) arise from synchronous activation of millions of neurons, producing seemingly consistent waveform shapes and relative synchrony across electrodes. Interictal spikes (IISs) are LFPs associated with epilepsy that are commonly used to guide surgical resection. Recently, changes in neuronal firing patterns observed in the minutes preceding seizure onset were found to be reactivated during postseizure...
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Gabriela Rembarz dr inż. arch.
PeopleGabriela Rembarz inżynier-architekt, urbanista, naukowiec, dydaktyk i aktywna projektantka, jest doktorem nauk technicznych w dyscyplinie architektura i urbanistyka, Ukończyła studia magisterskie na Wydziale Architektury i Urbanistyki Politechniki Gdańskiej, uzupełniając je specjalizacją w Ochronie Środowiska w ramach międzyuczelnianego CENVIG Center of Environmental Studies (Politechnika Gdańska) akredytowanego przez Roskilde...
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STEADY STATE VISUALLY EVOKED POTENTIALS FOR BRAIN COMPUTER INTERFACE
PublicationAn experiment conducted to validate a possibility of use a single active electrode EEG device for detecting Steady State Visually Evoked Potentials (SSVEP) is shown. A LED stimulator was applied to stimulate patients with two different frequencies - 13 Hz and 17 Hz. First, EEG signals were recorded and pre-processed using MATLAB software. In the next step recordings were analysed and classified employing the WEKA software. As indicated...
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Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS
PublicationWe describe a versatile method to enforce the rotation of subsets of atoms, e.g., a protein subunit, in molecular dynamics (MD) simulations. In particular, we introduce a “flexible axis” technique that allows realistic flexible adaptions of both the rotary subunit as well as the local rotation axis during the simulation. A variety of useful rotation potentials were implemented for the GROMACS 4.5 MD package. Application to the...
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Physics-Based Coarse-Grained Modeling in Bio- and Nanochemistry
PublicationCoarse-grained approaches, in which groups of atoms are represented by single interaction sites, are very important in biological and materials sciences because they enable us to cover the size- and time-scales by several orders of magnitude larger than those available all-atom simulations, while largely keeping the details of the systems studied. The coarse-grained approaches differ by the scheme of reduction and by the origin...
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Joanna Żukowska dr hab. inż.
PeopleJoanna Żukowska (born 15.12.1974 in Kwidzyn) – road engineering and transport safety expert. She is a researcher in the field of transport, including traffic safety. Her main fields of research are: traffic risk modelling, safety trend forecasts, programming and implementation of traffic safety management systems. She is an author and co-author of many publications on transport safety, provided expertise for the Polish Infrastructure...
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Pure cross-anisotropy for geotechnical elastic potentials
PublicationThe pure cross-anisotropy is understood as a special scaling of strain (or stress). The scaled tensor is used as an argument in the elastic stiffness (or compliance). Such anisotropy can be overlaid on the top of any elastic stiffness, in particular on one obtained from an elastic potential with its own stress-induced anisotropy. This superposition does not violate the Second Law. The method can be also applied to other functions...
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Marek Czachor prof. dr hab.
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Karol Niklas dr inż.
PeopleKarol NIKLAS is an Assistant Professor and Researcher at The Faculty of Mechanical Engineering and Ship Technology, Gdansk University of Technology (GUT), Poland. Awarded a Master of Science degree (Naval Architect, specialty: Design of vessels and yachts) by GUT in 2007. Postgraduate study in 'Novel Simulation Methods in Engineering' at the Faculty of Applied Physics and Mathematics in 2008. In 2014 awarded a PhD degree by GUT...
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The saga of a fish: from a survival guide to closing lemmas
PublicationIn the paper by D. Burago, S. Ivanov and A. Novikov, “A survival guide for feeble fish”, it has been shown that a fish with limited velocity can reach any point in the (possibly unbounded) ocean provided that the fluid velocity field is incompressible, bounded and has vanishing mean drift. This result extends some known global controllability theorems though being substantially nonconstructive. We give a fish a different recipe...
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A Three-Step Approach to Estimation of Reduction Potentials of Natural Mixtures of Antioxidants Based on DPPH Test; Illustration for Catechins and Cocoa
PublicationThe aim of this study is to propose a methodology to assess electrochemical properties of complex mixtures of antioxidants, such as plant extracts, based on the results of simple and popular DPPH test. The first, most difficult step, involves determinations of standard reduction potentials (E0) for the series of purified compounds (here catechins). The next step is the calculation of stoichiometric values (n10) based on the results...
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Detection and time/frequency analysis of electric fields in the ground
PublicationThis paper sets out to detect and characterize electric fields in the ground (such as stray current fields) using a tandem time/frequency method of signal analysis. Results were obtained from investigations performed in the presence of a generated electric field with controlled variable characteristics, and in the presence of an electric field generated by a tramline. The analysis of measurement registers was performed using Short‐Time...
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Digitalization of Building Site Management in the Construction Industry
PublicationWith Industry 4.0, a digital transformation has started in the construction industry. However, 4.0 technologies have difficulties in the integration of digital systems due to the diversity and complexity of the processes in the construction industry. Multidisciplinary work in architectural projects and the need for high productivity require digital renovation planning in the construction industry. The application of the technologies...
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Homoclinic and Heteroclinic Orbits for a Class of Singular Planar Newtonian Systems
PublicationThe study of existence and multiplicity of solutions of differential equations possessing a variational nature is a problem of great meaning since most of them derives from mechanics and physics. In particular, this relates to Hamiltonian systems including Newtonian ones. During the past thirty years there has been a great deal of progress in the use of variational methods to find periodic, homoclinic and heteroclinic solutions...
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THE AGRI-HOOD AND SLOW-SUBURB CONCEPT IN THE CONTEXT OF AN IN-BETWEEN CITY (ZWISCHENSTADT)
PublicationThe concept of an “in-between-city” (Zwischenstadt) interprets the urban sprawl in Europe as a new, evolving model of urban development, taking the form of urbanized landscapes, which does not correspond with the traditional understanding of urban design. The actual shape of an in-between-city reflects the today’s technology and economy generating new lifestyles: global trends coexist with the locality in a strong relation. The...
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Potencjał strategii slow city dla rozwoju miast kształtujących się metropolii polskich. Na przykładzie Pucka i Kartuz miast Obszaru Metropolitalnego Gdańsk-Sopot-Gdynia
PublicationW artykule wskazano możliwości wykorzystania filozofii ruchu Slow, do wykształcenia nowego modelu Metropolitalnych Slow City (MSC). Odniesiono się do założeń ruchu Cittaslow, pokazując potencjały dla alternatywnego kierunku strategii rozwojowej w duchu „miast dobrego życia” dla ośrodków w granicach obszarów metropolitalnych. W podsumowaniu założenia teoretyczne zilustrowano przykładem innowacyjnego modelu projektu rewitalizacji...
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Possible schemes of photoassociation processes in the KLi molecule with newly calculated potential energy curves
PublicationWe present four promising schemes for photoassociative formation of KLi molecule in its ground electronic state. Analysis is based on newly calculated adiabatic potentials supported by transition dipole moments and Franck-Condon factors.
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Local Planning
e-Learning CoursesThe aim of the course is to present the practical tools for local development. It integrates joint activities of various entities (local government units, private entities, residents) in order to transform a specific space as well as possible ways to procure urban or architectural project and funding.
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Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models
PublicationDifferent computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C2H2 molecules. The computations are carried out at the static and static-plus-polarization levels for describing the interaction forces and the correlation–polarization contributions are found to be an essential component for the correct...
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Arylated carbon nanotubes for biobatteries and biofuel cells
PublicationSinglwalled carbon nanotubes (swcnts)covalently phenylated, napthylated or terphenylated were used for the construction of cathodes in a biobattery and in a biofuel cell. zn is the anode in the biobaterry and single-walled carbon nanotubes are covalently modified with glucose oxidase/catalase (swcnt-gox/cat) and the biofuel cell anode. the cell parameters were determined and the potentials of each of the electrodes under cell working...
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The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?
PublicationPreorganization of large, directionally oriented, electric fields inside protein active sites has been proposed as a crucial contributor to catalytic mechanism in many enzymes, and it may be efficiently investigated at the atomistic level with molecular dynamics simulations. Here, we evaluate the ability of the AMOEBA polarizable force field, as well as the additive Amber ff14SB and Charmm C36m models, to describe the electric...
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Attitudes to tree removal on private property in rural and urban Polish municipalities.
Open Research DataThe urban-rural divide is an important factor known to affect public opinion on issues related to environmental protection and management. The present data set allows for a deeper understanding of this issue with respect to policies dealing with tree removal on private property in two municipalities located in southern Poland: Racibórz (an urban municipality)...
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Polysaccharide-based Nanocomposites for Biomedical Applications: A Critical Review
PublicationPolysaccharides (PSA) are taking specific position among biomaterials for advanced applications in medicine. Nevertheless, poor mechanical properties is known as the main drawback of PSA, which highlights need for PSA modification. Nanocomposites PSA (NPSA) are a class of biomaterials widely used as biomedical platforms, but despite their importance and worldwide use have not been reviewed. Herein we critically reviewed application...
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SENSITIVITY OF PUBLIC PLACES IN GDAŃSK OSOWA DISTRICT
PublicationThis paper summarises the results of the research carried out at the University of Ljubljana, Faculty of Architecture, Slovenia, during the PhD visiting period of the first author from the Gdansk University of Technology, Poland, in the framework of the PhD course "Sensitive urban places", leaded by the second author. Focusing to the specific problems of the Gdansk Osowa district in Poland, this research develops the idea of sensitivity...
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The relationship between standard reduction potentials of catechins and biological activities involved in redox control
PublicationRedox homeostasis involves factors that ensure proper function of cells. The excess reactive oxygen species (ROS) leads to oxidative stress and increased risk of oxidative damage to cellular components. In contrast, upon reductive stress, insufficient ROS abundance may result in faulty cell signalling. It may be expected that dietary antioxidants, depending on their standard reduction potentials (E°), will affect both scenarios....
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Local Planning - Summer 2024
e-Learning CoursesLocal Planning, Spatial Management Course focuses on the practical aspects of the local planning both spatial and communal. Topics such as policy measures and tools used by the local government to guide provision of the local services and planning will be discussed. The course is complementary to 'Comprehensive Planning'. Course is delivered in English.
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Comparison of Renewable Energy Sources in ‘New’ EU Member States in the Context of National Energy Transformations
PublicationThe European Union strives to create sustainable, low-carbon economies; therefore, energy policies of all member states should move towards renewable energy sources (RES). That concerns also the so-called new EU member states. These countries, on the one hand, are characterized by significant historical similarities in terms of post-communist legacy and adopted development strategies linked with the EU membership, and on the other...
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The 41Σ+ electronic state of LiCs molecule
PublicationThe 41Σ+ state of LiCs molecule is observed experimentally for the first time. The inverted perturbation approach (IPA) method is used to derive the potential energy curve of the state from the measured spectra. The experiment is accompanied by theoretical calculations of adiabatic potentials for excited states in LiCs including 41Σ+, performed with the MOLPRO program package. The irregular shape of the 41Σ+ state potential predicted...
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Biobatteries and biofuel cells with biphenylated carbon nanotubes
PublicationSingle-walled carbon nanotubes covalently biphenylated are used for the construction of cathodes in a flow biobattery and in flow biofuel cell. Zinc covered with a hopeite layer is the anode in the biobattery and glassy carbon electrode covered with bioconjugates of single-walled carbon nanotubes with glucose oxidase and catalase is anode of the biofuel cell. The potentials of the electrodes are measured vs. the Ag/AgCl reference...
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Las pełen muzyki:Unikatowe walory architektury Opery Leśnej w Sopocie, dawniej i obecnie
PublicationZakończona sukcesem współczesna modernizacja architektury , konstrukcji i elementów nowej estetyki kultowego obiektu Opery Leśnej w Sopocie daje podstawę do snucia optymistycznych wniosków na temat przyszłości rozwoju kultury muzycznej w szerokim tego słowa znaczeniu Cała.przestrzeń nowoczesnego funkcjonalnego obiektu o innowacyjnej konstrukcji zadaszenia nad sceną i powiększoną 5000 miejs- widownią ,jest nową atrakcja...
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Quantum corrections to quasi-periodic solution of Sine-Gordon model and periodic solution of phi^4 model
PublicationAnalytical form of quantum corrections to quasi-periodic solution of Sine-Gordon model and periodic solution of phi^4 model is obtained through zeta function regularisation with account of all rest variables of a d-dimensional theory. Qualitative dependence of quantum corrections on parameters of the classical systems is also evaluated for a much broader class of potentials u(x) = b^2 f(bx) + C with b and C as arbitrary real constants
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Electrochemical Stability of Few-Layered Phosphorene Flakes on Boron-Doped Diamond: A Wide Potential Range of Studies in Aqueous Solutions
PublicationTwo-dimensional phosphorene has attracted great interest since its discovery as a result of its extraordinary properties. Two-dimensional single crystals of phosphorene can be useful for electrochemical (EC) sensing applications due to their enhanced surface-to-volume ratio. We proposed to investigate the electrochemical performance of phosphorene deposited directly on boron-doped diamond (BDD) electrodes. Noncovalent interaction...