Sulfate, Bisulfate, and Hydrogen Co-adsorption on Pt(111) and Au(111) in an Electrochemical Environment
出版年份 2020 全文链接
标题
Sulfate, Bisulfate, and Hydrogen Co-adsorption on Pt(111) and Au(111) in an Electrochemical Environment
作者
关键词
-
出版物
Frontiers in Chemistry
Volume 8, Issue -, Pages -
出版商
Frontiers Media SA
发表日期
2020-07-31
DOI
10.3389/fchem.2020.00634
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Solvation at metal/water interfaces: An ab initio molecular dynamics benchmark of common computational approaches
- (2020) Hendrik H. Heenen et al. JOURNAL OF CHEMICAL PHYSICS
- Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study
- (2020) Gabriel Bramley et al. Journal of Chemical Theory and Computation
- Toward an Atomic-Scale Understanding of Electrochemical Interface Structure and Dynamics
- (2019) Olaf M. Magnussen et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Improved DFT Adsorption Energies with Semiempirical Dispersion Corrections
- (2019) David Mahlberg et al. Journal of Chemical Theory and Computation
- The electric double layer at metal-water interfaces revisited based on a charge polarization scheme
- (2018) Sung Sakong et al. JOURNAL OF CHEMICAL PHYSICS
- Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase
- (2018) Guoju Yang et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Nanoconfined Water within Graphene Slit Pores Adopts Distinct Confinement-Dependent Regimes
- (2018) Sergi Ruiz-Barragan et al. Journal of Physical Chemistry Letters
- Liquid–Vapor Phase Diagram of RPBE-D3 Water: Electronic Properties along the Coexistence Curve and in the Supercritical Phase
- (2017) Philipp Schienbein et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Hydrogen and halide co-adsorption on Pt(111) in an electrochemical environment: a computational perspective
- (2016) Florian Gossenberger et al. ELECTROCHIMICA ACTA
- The structure of water at a Pt(111) electrode and the potential of zero charge studied from first principles
- (2016) Sung Sakong et al. JOURNAL OF CHEMICAL PHYSICS
- How van der Waals interactions determine the unique properties of water
- (2016) Tobias Morawietz et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- The Importance of the Electrochemical Environment in the Electro-Oxidation of Methanol on Pt(111)
- (2016) Sung Sakong et al. ACS Catalysis
- Density functional theory study of the electrochemical interface between a Pt electrode and an aqueous electrolyte using an implicit solvent method
- (2015) Sung Sakong et al. JOURNAL OF CHEMICAL PHYSICS
- Equilibrium coverage of halides on metal electrodes
- (2015) Florian Gossenberger et al. SURFACE SCIENCE
- The partial charge transfer
- (2014) Wolfgang Schmickler et al. ELECTROCHIMICA ACTA
- Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
- (2014) Kiran Mathew et al. JOURNAL OF CHEMICAL PHYSICS
- Dispersion corrected RPBE studies of liquid water
- (2014) Katrin Forster-Tonigold et al. JOURNAL OF CHEMICAL PHYSICS
- Water Structures at Metal Electrodes Studied by Ab Initio Molecular Dynamics Simulations
- (2014) Axel Groß et al. JOURNAL OF THE ELECTROCHEMICAL SOCIETY
- Change of the work function of platinum electrodes induced by halide adsorption
- (2014) Florian Gossenberger et al. Beilstein Journal of Nanotechnology
- Vibrational Dynamics of Sulfate Anion Adsorption on Pt(111) Surface: Ab Initio Molecular Dynamics Simulations
- (2014) Yumin Qian et al. ChemElectroChem
- 4,4′-Dithiodipyridine on Au(111): A Combined STM, STS, and DFT Study
- (2013) Berndt Koslowski et al. Journal of Physical Chemistry C
- The importance of nonlinear fluid response in joint density-functional theory studies of battery systems
- (2013) Deniz Gunceler et al. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
- Periodic Density-Functional Calculations on Work-Function Change Induced by Adsorption of Halogens on Cu(111)
- (2013) Tanglaw Roman et al. PHYSICAL REVIEW LETTERS
- The adsorption of bisulfate and sulfate anions over a Pt(111) electrode: A first principle study of adsorption configurations, vibrational frequencies and linear sweep voltammogram simulations
- (2012) Kuan-Yu Yeh et al. CATALYSIS TODAY
- Dispersive interactions in water bilayers at metallic surfaces: A comparison of the PBE and RPBE functional including semiempirical dispersion corrections
- (2012) Katrin Tonigold et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- First principles study of sulfuric acid anion adsorption on a Pt(111) electrode
- (2012) Ryosuke Jinnouchi et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Ab initio study of the electrochemical H2SO4/Pt(111) interface
- (2012) Aleix Comas-Vives et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge
- (2012) Kendra Letchworth-Weaver et al. PHYSICAL REVIEW B
- Challenges in the first-principles description of reactions in electrocatalysis
- (2010) Sebastian Schnur et al. CATALYSIS TODAY
- How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
- (2010) Andrew A. Peterson et al. Energy & Environmental Science
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Real-Time Investigations of Pt(111) Surface Transformations in Sulfuric Acid Solutions
- (2010) Björn Braunschweig et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Elucidation of the Chemical Nature of Adsorbed Species for Pt(111) in H2SO4Solutions by Thermodynamic Analysis
- (2010) Nuria Garcia-Araez et al. LANGMUIR
- A density-functional theory study of electrochemical adsorption of sulfuric acid anions on Pt(111)
- (2010) Juan A. Santana et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Electrochemical Hydrogen Adsorption and Absorption. Part 1: Under-potential Deposition of Hydrogen
- (2010) Gregory Jerkiewicz Electrocatalysis
- Adsorption of hydrogen on Pt(111) and Pt(100) surfaces and its role in the HOR
- (2008) D. Strmcnik et al. ELECTROCHEMISTRY COMMUNICATIONS
- Thermodynamic analysis of (bi)sulphate adsorption on a Pt(111) electrode as a function of pH
- (2008) Nuria Garcia-Araez et al. ELECTROCHIMICA ACTA
- The role of anions in surface electrochemistry
- (2008) D. V. Tripkovic et al. FARADAY DISCUSSIONS
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search