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Nanocarbon for Oxygen Reduction Electrocatalysis: Dopants, Edges, and Defects
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Active Sites and Mechanism of Oxygen Reduction Reaction Electrocatalysis on Nitrogen-Doped Carbon Materials
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October 2018 |
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Controlling Selectivity in the Chlorine Evolution Reaction over RuO 2 -Based Catalysts
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August 2014 |
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Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
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March 2011 |
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Changes in Active Sites on Nitrogen‐Doped Carbon Catalysts Under Oxygen Reduction Reaction: A Combined Post‐Reaction Characterization and DFT Study
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October 2019 |
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Enhancement in Oxygen Reduction Reaction Activity of Nitrogen-Doped Carbon Nanostructures in Acidic Media through Chloride-Ion Exposure
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May 2018 |
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Evaluating Solvent Effects at the Aqueous/Pt(111) Interface
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June 2017 |
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Predicting core level binding energies shifts: Suitability of the projector augmented wave approach as implemented in VASP
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January 2017 |
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Binding energy shifts for nitrogen-containing graphene-based electrocatalysts - experiments and DFT calculations: Analyzing structure-property relationships of functionalized materials
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January 2016 |
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Carbon Nanomaterials for Advanced Energy Conversion and Storage
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March 2012 |
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Non-metal Catalysts for Dioxygen Reduction in an Acidic Electrolyte
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Heteroatom-Doped Carbon Nanostructures as Oxygen Reduction Reaction Catalysts in Acidic Media: An Overview
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November 2014 |
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Investigation of Chloride Poisoning Resistance for Nitrogen-Doped Carbon Nanostructures as Oxygen Depolarized Cathode Catalysts in Acidic Media
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October 2017 |
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Carbon corrosion characteristics of CNx nanostructures in acidic media and implications for ORR performance
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April 2011 |
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Activity and active sites of nitrogen-doped carbon nanotubes for oxygen reduction reaction
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January 2013 |
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Methanol Tolerance of CN x Oxygen Reduction Catalysts
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November 2007 |
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Nitrogen-Containing Carbon Nanostructures as Oxygen-Reduction Catalysts
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April 2009 |
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A First-Principles Study of the Role of Quaternary-N Doping on the Oxygen Reduction Reaction Activity and Selectivity of Graphene Edge Sites
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June 2013 |
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X-ray photoelectron spectroscopy of brominated (SN) and S4N4
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Mechanism of bromine evolution at a graphite electrode
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Electrolysis of hydrobromic acid
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Insights into oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) active sites for nitrogen-doped carbon nanostructures (CNx) in acidic media
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January 2018 |
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Solvation effects on DFT predictions of ORR activity on metal surfaces
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February 2019 |
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Halogen adsorption on crystallographic (111) planes of Pt, Pd, Cu and Au, and on Pd-monolayer catalyst surfaces: First-principles study
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February 2010 |
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The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations
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Chlorine Evolution Reaction on RuO2(110): Ab initio Atomistic Thermodynamics Study - Pourbaix Diagrams
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February 2014 |
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Electrochemical specific adsorption of halides on Cu 111 , 100 , and 211 : A Density Functional Theory study
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Review on bromine in solid fuels – Part 2: Anthropogenic occurrence
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April 2012 |
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Study of bromine species crossover in H2/Br2 redox flow batteries
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February 2017 |
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The role of nanostructure in nitrogen-containing carbon catalysts for the oxygen reduction reaction
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April 2006 |
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Preparation of nanostructured nitrogen-containing carbon catalysts for the oxygen reduction reaction from SiO2- and MgO-supported metal particles
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October 2006 |
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A comparison of N-containing carbon nanostructures (CN ) and N-coordinated iron–carbon catalysts (FeNC) for the oxygen reduction reaction in acidic media
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August 2014 |
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Electro-carboxylation of butadiene and ethene over Pt and Ni catalysts
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November 2016 |
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Competition and selectivity during parallel evolution of bromine, chlorine and oxygen on IrOx electrodes
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September 2020 |
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A comparison of single and double Co sites incorporated in N-doped graphene for the oxygen reduction reaction
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January 2021 |
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Electroreduction of oxygen on nitrogen-doped carbon nanotube modified glassy carbon electrodes in acid and alkaline solutions
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The recent progress and future of oxygen reduction reaction catalysis: A review
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Equilibrium coverage of halides on metal electrodes
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Implicit Solvation Methods for Catalysis at Electrified Interfaces
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December 2021 |
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Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction
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December 2017 |
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Experimental and DFT Investigation into Chloride Poisoning Effects on Nitrogen-Coordinated Iron–Carbon (FeNC) Catalysts for Oxygen Reduction Reaction
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April 2020 |
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CO Poisoning Effects on FeNC and CN x ORR Catalysts: A Combined Experimental–Computational Study
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July 2016 |
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Core Level Shifts of Hydrogenated Pyridinic and Pyrrolic Nitrogen in the Nitrogen-Containing Graphene-Based Electrocatalysts: In-Plane vs Edge Defects
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December 2016 |
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Assessment of Constant-Potential Implicit Solvation Calculations of Electrochemical Energy Barriers for H 2 Evolution on Pt
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January 2019 |
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Solvent–Adsorbate Interactions and Adsorbate-Specific Solvent Structure in Carbon Dioxide Reduction on a Stepped Cu Surface
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February 2019 |
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Identification of Possible Pathways for C–C Bond Formation during Electrochemical Reduction of CO 2 : New Theoretical Insights from an Improved Electrochemical Model
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April 2016 |
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Heteroatom-Doped Graphitic Carbon Catalysts for Efficient Electrocatalysis of Oxygen Reduction Reaction
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November 2015 |
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Probing the Oxygen Reduction Reaction Active Sites over Nitrogen-Doped Carbon Nanostructures (CN x ) in Acidic Media Using Phosphate Anion
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September 2016 |
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Challenges in Modeling Electrochemical Reaction Energetics with Polarizable Continuum Models
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November 2018 |
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Origin of the Large N 1s Binding Energy in X-ray Photoelectron Spectra of Calcined Carbonaceous Materials
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Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
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Simulating Linear Sweep Voltammetry from First-Principles: Application to Electrochemical Oxidation of Water on Pt(111) and Pt 3 Ni(111)
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February 2012 |
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Combinatorial Density Functional Theory-Based Screening of Surface Alloys for the Oxygen Reduction Reaction
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March 2009 |
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Unifying the 2e – and 4e – Reduction of Oxygen on Metal Surfaces
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September 2012 |
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Observation of Active Sites for Oxygen Reduction Reaction on Nitrogen-Doped Multilayer Graphene
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June 2014 |
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Towards the computational design of solid catalysts
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April 2009 |
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Alloys of platinum and early transition metals as oxygen reduction electrocatalysts
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September 2009 |
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Production of Graphite Chloride and Bromide Using Microwave Sparks
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September 2012 |
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Electrocatalytic applications of heteroatom-doped carbon nanostructures: thinking beyond PEM fuel cells
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January 2020 |
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Electrochemical chlorine evolution at rutile oxide (110) surfaces
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January 2010 |
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Halide adsorption on close-packed metal electrodes
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January 2014 |
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Estimations of electric field effects on the oxygen reduction reaction based on the density functional theory
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How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
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Synthesis of partially hydrogenated graphene and brominated graphene
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Density functional theory calculations of XPS binding energy shift for nitrogen-containing graphene-like structures
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Assessing the Risk Associated with Increasing Bromide in Drinking Water Sources in the Monongahela River, Pennsylvania
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Atomistic insights into aqueous corrosion of copper
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June 2011 |
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Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
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February 2014 |
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Implicit self-consistent electrolyte model in plane-wave density-functional theory
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December 2019 |
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Quantifying solvation energies at solid/liquid interfaces using continuum solvation methods
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Ab initiomolecular dynamics for liquid metals
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Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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From ultrasoft pseudopotentials to the projector augmented-wave method
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Generalized Gradient Approximation Made Simple
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Active sites of nitrogen-doped carbon materials for oxygen reduction reaction clarified using model catalysts
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Electrode Materials for Hydrobromic Acid Electrolysis in Texas Instruments' Solar Chemical Converter
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A Model of the Bromine/Bromide Electrode Reaction at a Rotating Disk Electrode
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Competition and Interhalogen Formation During Parallel Electrocatalytic Oxidation of Bromide and Chloride on Pt
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The Oxidation of Bromide on Platinum Electrodes in Aqueous Acidic Solutions: Electrochemical and In Situ Spectroscopic Studies
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Theoretical Trends in Particle Size Effects for the Oxygen Reduction Reaction
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