On the public citation graph

Characterization of oxygenated species at water/Pt(111) interfaces from DFT energetics and XPS simulations

https://doi.org/10.1016/j.nanoen.2016.05.044

0 signed · 136 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.

Claim with ORCID

Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.

See reference health

What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/anie.200504386openalex-snapshot

Changing the Activity of Electrocatalysts for Oxygen Reduction by Tuning the Surface Electronic Structure

inferredcites →https://doi.org/10.1002/anie.201409527openalex-snapshot

Enhancing Electrochemical Water‐Splitting Kinetics by Polarization‐Driven Formation of Near‐Surface Iron(0): An In Situ XPS Study on Perovskite‐Type Electrodes

inferredcites →https://doi.org/10.1002/anie.201502104openalex-snapshot

Elucidation of Pathways for NO Electroreduction on Pt(111) from First Principles

inferredcites →https://doi.org/10.1002/tcr.201402025openalex-snapshot

I n Situ Observation of Model Catalysts under Reaction Conditions Using X ‐ray Core‐Level Spectroscopy

inferredcites →https://doi.org/10.1007/s11244-013-0165-4openalex-snapshot

Coverage-Dependent Adsorption at a Low Symmetry Surface: DFT and Statistical Analysis of Oxygen Chemistry on Kinked Pt(321)

inferredcites →https://doi.org/10.1007/s11426-010-0086-zopenalex-snapshot

First-principles calculation of core-level binding energy shift in surface chemical processes

inferredcites →https://doi.org/10.1016/0039-6028(84)90778-7openalex-snapshot

Characterization of oxidized platinum surfaces by X-ray photoelectron spectroscopy

inferredcites →https://doi.org/10.1016/0039-6028(91)90089-bopenalex-snapshot

Adsorption of H2O on Ru(001)

inferredcites →https://doi.org/10.1016/0927-0256(96)00008-0openalex-snapshot

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

inferredcites →https://doi.org/10.1016/j.catcom.2014.03.016openalex-snapshot

Theoretical study of CO adsorption on Au catalysts under environmental catalytic conditions

inferredcites →https://doi.org/10.1016/j.cplett.2012.11.025openalex-snapshot

Avoiding pitfalls in the modeling of electrochemical interfaces

inferredcites →https://doi.org/10.1016/j.electacta.2010.02.056openalex-snapshot

The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations

inferredcites →https://doi.org/10.1016/j.surfrep.2009.07.001openalex-snapshot

Water adsorption and the wetting of metal surfaces

inferredcites →https://doi.org/10.1016/j.susc.2008.08.034openalex-snapshot

Microcalorimetry of O2 and NO on flat and stepped platinum surfaces

inferredcites →https://doi.org/10.1016/j.susc.2015.02.011openalex-snapshot

Core level shifts in Cu–Pd alloys as a function of bulk composition and structure

inferredcites →https://doi.org/10.1016/s0167-5729(01)00020-6openalex-snapshot

The interaction of water with solid surfaces: fundamental aspects revisited

inferredcites →https://doi.org/10.1016/s0167-5729(01)00022-xopenalex-snapshot

Surface science studies of model fuel cell electrocatalysts

inferredcites →https://doi.org/10.1016/s0167-5729(03)00013-xopenalex-snapshot

Real-time X-ray photoelectron spectroscopy of surface reactions

inferredcites →https://doi.org/10.1021/acs.accounts.5b00275openalex-snapshot

Insights into Electrochemical Reactions from Ambient Pressure Photoelectron Spectroscopy

inferredcites →https://doi.org/10.1021/acs.jpcc.5b03169openalex-snapshot

Towards First Principles-Based Prediction of Highly Accurate Electrochemical Pourbaix Diagrams

inferredcites →https://doi.org/10.1021/acs.jpcc.5b05958openalex-snapshot

XPS Analysis of the Surface Chemistry and Interfacial Bonding of Barrier-Type Cr(VI)-Free Anodic Oxides

inferredcites →https://doi.org/10.1021/acs.jpcc.6b00697openalex-snapshot

Electrochemical Surface Stress Development during CO and NO Oxidation on Pt

inferredcites →https://doi.org/10.1021/ja207261sopenalex-snapshot

In Situ Oxidation Study of Pt(110) and Its Interaction with CO

inferredcites →https://doi.org/10.1021/ja402604uopenalex-snapshot

Mechanistic Studies of Water Electrolysis and Hydrogen Electro-Oxidation on High Temperature Ceria-Based Solid Oxide Electrochemical Cells

inferredcites →https://doi.org/10.1021/jp047349jopenalex-snapshot

Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode

inferredcites →https://doi.org/10.1021/jp073405fopenalex-snapshot

Structure and Bonding of the Water−Hydroxyl Mixed Phase on Pt(111)

inferredcites →https://doi.org/10.1021/jp201608xopenalex-snapshot

Energy of Molecularly Adsorbed Water on Clean Pt(111) and Pt(111) with Coadsorbed Oxygen by Calorimetry

inferredcites →https://doi.org/10.1021/jp207350ropenalex-snapshot

The Energy of Hydroxyl Coadsorbed with Water on Pt(111)

inferredcites →https://doi.org/10.1021/jp209336qopenalex-snapshot

Simulated Photoemission Spectra of Hydroxylated MgO(100) at Elevated Temperatures

inferredcites →https://doi.org/10.1021/jp210802qopenalex-snapshot

Simulating Linear Sweep Voltammetry from First-Principles: Application to Electrochemical Oxidation of Water on Pt(111) and Pt3Ni(111)

inferredcites →https://doi.org/10.1021/jp3066794openalex-snapshot

Energetics of Oxygen Adatoms, Hydroxyl Species and Water Dissociation on Pt(111)

inferredcites →https://doi.org/10.1021/jp4100608openalex-snapshot

Unifying Kinetic and Thermodynamic Analysis of 2 e– and 4 e– Reduction of Oxygen on Metal Surfaces

inferredcites →https://doi.org/10.1021/jp507519aopenalex-snapshot

Ab Initio Thermodynamic Modeling of Electrified Metal–Oxide Interfaces: Consistent Treatment of Electronic and Ionic Chemical Potentials

inferredcites →https://doi.org/10.1021/jp905377dopenalex-snapshot

How Potentials of Zero Charge and Potentials for Water Oxidation to OH(ads) on Pt(111) Electrodes Vary With Coverage

inferredcites →https://doi.org/10.1021/jp9632551openalex-snapshot

Single-Crystal Neutron Diffraction Studies of the Structure of Ice XI

inferredcites →https://doi.org/10.1021/la803050ropenalex-snapshot

Identification and Quantification of Oxygen Species Adsorbed on Pt(111) Single-Crystal and Polycrystalline Pt Electrodes by Photoelectron Spectroscopy

inferredcites →https://doi.org/10.1023/a:1019028229377openalex-snapshot

Making gold less noble

inferredcites →https://doi.org/10.1038/nchem.330openalex-snapshot

The role of non-covalent interactions in electrocatalytic fuel-cell reactions on platinum

inferredcites →https://doi.org/10.1038/nchem.367openalex-snapshot

Alloys of platinum and early transition metals as oxygen reduction electrocatalysts

inferredcites →https://doi.org/10.1038/ncomms3817openalex-snapshot

Direct observation of the oxygenated species during oxygen reduction on a platinum fuel cell cathode

inferredcites →https://doi.org/10.1038/srep09788openalex-snapshot

Using “Tender” X-ray Ambient Pressure X-Ray Photoelectron Spectroscopy as A Direct Probe of Solid-Liquid Interface

inferredcites →https://doi.org/10.1039/b802129eopenalex-snapshot

Steady state oxygenreduction and cyclic voltammetry

inferredcites →https://doi.org/10.1039/c0ee00756kopenalex-snapshot

Structural effects on the surface oxidation processes at Pt single-crystal electrodes studied by X-ray photoelectron spectroscopy

inferredcites →https://doi.org/10.1039/c1cp22506eopenalex-snapshot

Proton ordering in cubic ice and hexagonal ice; a potential new ice phase—XIc

inferredcites →https://doi.org/10.1039/c2ee21754fopenalex-snapshot

The road from animal electricity to green energy: combining experiment and theory in electrocatalysis

inferredcites →https://doi.org/10.1039/c3cp50257kopenalex-snapshot

Generalized trends in the formation energies of perovskite oxides

inferredcites →https://doi.org/10.1039/c3cp51099aopenalex-snapshot

Origin of electrolyte-dopant dependent sulfur poisoning of SOFC anodes

inferredcites →https://doi.org/10.1063/1.2192514openalex-snapshot

Density functional theory study of water dissociation in a double water bilayer with or without coadsorption of CO on Pt(111)

inferredcites →https://doi.org/10.1063/1.2338035openalex-snapshot

Relaxed core projector-augmented-wave method

inferredcites →https://doi.org/10.1063/1.2955452openalex-snapshot

Quantum molecular dynamics study of water on TiO2(110) surface

inferredcites →https://doi.org/10.1063/1.448153openalex-snapshot

Energies of the phases of ice at zero temperature and pressure

inferredcites →https://doi.org/10.1088/0953-8984/27/8/083003openalex-snapshot

In-situobservations of catalytic surface reactions with soft x-rays under working conditions

inferredcites →https://doi.org/10.1088/0953-8984/8/36/005openalex-snapshot

Extracting convergent surface energies from slab calculations

inferredcites →https://doi.org/10.1103/physrevb.48.13115openalex-snapshot

Ab initio molecular dynamics for open-shell transition metals

inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-snapshot

Projector augmented-wave method

inferredcites →https://doi.org/10.1103/physrevb.59.1758openalex-snapshot

From ultrasoft pseudopotentials to the projector augmented-wave method

inferredcites →https://doi.org/10.1103/physrevb.59.7413openalex-snapshot

Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals

inferredcites →https://doi.org/10.1103/physrevb.67.026103openalex-snapshot

Reply to “Comment on ‘Energy and pressure versus volume: Equations of state motivated by the stabilized jellium model’ ”

inferredcites →https://doi.org/10.1103/physrevb.70.165405openalex-snapshot

Density functional study of CO on Rh(111)

inferredcites →https://doi.org/10.1103/physrevb.71.035109openalex-snapshot

Real-space grid implementation of the projector augmented wave method

inferredcites →https://doi.org/10.1103/physrevb.83.195131openalex-snapshot

Van der Waals density functionals applied to solids

inferredcites →https://doi.org/10.1103/physrevb.85.235149openalex-snapshot

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

inferredcites →https://doi.org/10.1103/physrevlett.106.026101openalex-snapshot

To Wet or Not to Wet? Dispersion Forces Tip the Balance for Water Ice on Metals

inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot

Generalized Gradient Approximation Made Simple

inferredcites →https://doi.org/10.1103/physrevlett.89.276102openalex-snapshot

Structure and Bonding of Water on Pt(111)

inferredcites →https://doi.org/10.1103/physrevlett.95.216401openalex-snapshot

Bayesian Error Estimation in Density-Functional Theory

inferredcites →https://doi.org/10.1103/physrevlett.95.256102openalex-snapshot

One-Dimensional PtO2 at Pt Steps: Formation and Reaction with CO

inferredcites →https://doi.org/10.1103/physrevlett.97.246101openalex-snapshot

Electron Core-Hole Interaction and Its Induced Ionic Structural Relaxation in Molecular Systems under X-Ray Irradiation

inferredcites →https://doi.org/10.1126/science.1135941openalex-snapshot

Improved Oxygen Reduction Activity on Pt 3 Ni(111) via Increased Surface Site Availability

inferredcites →https://doi.org/10.1126/science.aab3501openalex-snapshot

Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors

inferredcites →https://doi.org/10.3762/bjnano.4.108openalex-snapshot

Some reflections on the understanding of the oxygen reduction reaction at Pt(111)

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4642899openalex-extracted

Morphology Control Engineering and Residual Carbon Enhancement Strategy for Precise Regulation of Catalysts

inferred← citeshttps://doi.org/10.1002/adfm.202006771openalex-snapshot

Self‐Standing Nanofiber Electrodes with Pt–Co Derived from Electrospun Zeolitic Imidazolate Framework for High Temperature PEM Fuel Cells

inferred← citeshttps://doi.org/10.1002/ange.201710556openalex-snapshot

Die Wasserstoffentwicklungsreaktion in alkalischer Lösung: Von der Theorie und Einkristallmodellen zu praktischen Elektrokatalysatoren

inferred← citeshttps://doi.org/10.1002/ange.202302087openalex-snapshot

Ionic Nickel Embedded in Ceria with High Specific CO2 Methanation Activity

inferred← citeshttps://doi.org/10.1002/ange.202312747openalex-snapshot

Origin of Stability and Activity Enhancements in Pt‐based Oxygen Reduction Reaction Catalysts via Defect‐Mediated Dopant Adsorption

inferred← citeshttps://doi.org/10.1002/anie.201710556openalex-snapshot

The Hydrogen Evolution Reaction in Alkaline Solution: From Theory, Single Crystal Models, to Practical Electrocatalysts

inferred← citeshttps://doi.org/10.1002/anie.202302087openalex-snapshot

Ionic Nickel Embedded in Ceria with High Specific CO2 Methanation Activity

inferred← citeshttps://doi.org/10.1002/anie.202312747openalex-snapshot

Origin of Stability and Activity Enhancements in Pt‐based Oxygen Reduction Reaction Catalysts via Defect‐Mediated Dopant Adsorption

inferred← citeshttps://doi.org/10.1002/cphc.202200336openalex-snapshot

Potential‐Dependent Pt(111)/Water Interface: Tackling the Challenge of a Consistent Treatment of Electrochemical Interfaces**

inferred← citeshttps://doi.org/10.1002/cssc.201800569openalex-snapshot

Enabling Generalized Coordination Numbers to Describe Strain Effects

inferred← citeshttps://doi.org/10.1007/s40820-022-00984-5openalex-snapshot

A Review of In-Situ Techniques for Probing Active Sites and Mechanisms of Electrocatalytic Oxygen Reduction Reactions

inferred← citeshttps://doi.org/10.1016/b978-0-323-85669-0.00068-4openalex-snapshot

Operando X-ray characterization of interfacial charge transfer and structural rearrangements

inferred← citeshttps://doi.org/10.1016/b978-0-323-85669-0.00125-2openalex-snapshot

Hydrogen bond network at the H2O/solid interface

inferred← citeshttps://doi.org/10.1016/j.apsusc.2026.166420openalex-snapshot

Fast prediction of oxygen reduction reaction activity on ionic liquids modified Pt catalysts by hydrogen bonds

inferred← citeshttps://doi.org/10.1016/j.cej.2025.163283openalex-snapshot

Boosting photocatalytic desulfurization efficiency via in-situ Ti-MOF disassembly and reconstruction strategies on S-scheme M-TiO2@Cu2S heterojunction

inferred← citeshttps://doi.org/10.1016/j.elecom.2024.107819openalex-snapshot

Response characteristics of platinum coated titanium bipolar plates for proton exchange membrane water electrolysis under fluctuating conditions

inferred← citeshttps://doi.org/10.1016/j.electacta.2017.12.039openalex-snapshot

In situ surface stress measurement and computational analysis examining the oxygen reduction reaction on Pt and Pd

inferred← citeshttps://doi.org/10.1016/j.electacta.2025.147066openalex-snapshot

Advancing the chlorine evolution reaction efficiency of CuCoIr/CP electrodes through magnetization-induced electron polarization

inferred← citeshttps://doi.org/10.1016/j.jcat.2021.04.008openalex-snapshot

On the relationship between potential of zero charge and solvent dynamics in the reversible hydrogen electrode

inferred← citeshttps://doi.org/10.1016/j.jwpe.2025.109058openalex-snapshot

Sulfate concentration gradient-modulated the electron transfer number for efficient pollutants electro-oxidation

inferred← citeshttps://doi.org/10.1016/j.matchemphys.2023.128178openalex-snapshot

Improving stability and efficiency of three-dimensional perovskite solar cells with organophosphorus ligands

inferred← citeshttps://doi.org/10.1016/j.mssp.2025.110331openalex-snapshot

Effect of Ru-loading on the sensing capabilities of Co3O4/rGO for LPG detection at low temperature

inferred← citeshttps://doi.org/10.1016/j.nanoen.2016.04.011openalex-snapshot

Beyond the top of the volcano? – A unified approach to electrocatalytic oxygen reduction and oxygen evolution

inferred← citeshttps://doi.org/10.1016/j.nanoen.2016.06.004openalex-snapshot

How theory and simulation can drive fuel cell electrocatalysis

inferred← citeshttps://doi.org/10.1016/j.solmat.2020.110527openalex-snapshot

Efficient defect-passivation and charge-transfer with interfacial organophosphorus ligand modification for enhanced performance of perovskite solar cells

inferred← citeshttps://doi.org/10.1016/j.vacuum.2024.113178openalex-snapshot

Investigating Methanol Decomposition at Low Temperatures on Polycrystalline Pt Using Near Ambient Pressure Xps (Nap-Xps)

inferred← citeshttps://doi.org/10.1016/j.watres.2025.123139openalex-snapshot

An observed "sandwich" framework mediated via sulfate ions as electron shuttle for efficient electro-oxidation of organic pollutants

inferred← citeshttps://doi.org/10.1016/s1872-2067(22)64125-1openalex-snapshot

Density functional theory study of active sites and reaction mechanism of ORR on Pt surfaces under anhydrous conditions

inferred← citeshttps://doi.org/10.1016/s1872-5813(24)60466-4openalex-snapshot

Tuning support morphology to control alloy over PtCo/γ-Al2O3 for the preferential oxidation of CO

inferred← citeshttps://doi.org/10.1021/acs.chemrev.1c00929openalex-snapshot

Theoretical Modeling of Electrochemical Proton-Coupled Electron Transfer

inferred← citeshttps://doi.org/10.1021/acs.inorgchem.3c02519openalex-snapshot

Confinement Effects in Carbonized ZIF-Confined Hollow PtCo Nanospheres Enable the Methanol Oxidation Reaction

inferred← citeshttps://doi.org/10.1021/acs.jpcb.8b10325openalex-snapshot

Disorder in Aqueous Solutions and Peak Broadening in X-ray Photoelectron Spectroscopy

inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c11115openalex-snapshot

Marking Electrocatalysts on the “Volcanic Belt” of Hydrogen Electrode Reactions

inferred← citeshttps://doi.org/10.1021/acs.jpcc.3c06870openalex-snapshot

Solvation Enthalpy Determination for Aqueous-Phase Reaction Adsorbates Using Ab Initio Molecular Dynamics-Based Structure Sampling

inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c01630openalex-snapshot

Unraveling Reactivity Origin of Oxygen Reduction at High-Entropy Alloy Electrocatalysts with a Computational and Data-Driven Approach

inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c03049openalex-snapshot

The Role of Oxidation States in the Hydroxylation Reaction on Manganese Oxide Thin Films

inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b09019openalex-snapshot

pH in Grand Canonical Statistics of an Electrochemical Interface

inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b07472openalex-snapshot

Potential- and Rate-Determining Step for Oxygen Reduction on Pt(111)

inferred← citeshttps://doi.org/10.1021/acs.jpclett.0c02105openalex-snapshot

Unraveling the Photogenerated Electron Localization on the Defect-Free CH3NH3PbI3(001) Surfaces: Understanding and Implications from a First-Principles Study

inferred← citeshttps://doi.org/10.1021/acs.jpclett.7b01018openalex-snapshot

Importance of Solvation for the Accurate Prediction of Oxygen Reduction Activities of Pt-Based Electrocatalysts

inferred← citeshttps://doi.org/10.1021/acs.nanolett.5c01832openalex-snapshot

Band Gap Tuning via Supercritical CO2-Induced Exciton Effect in BiFeO3 for Photocatalytic CO2 Reduction

inferred← citeshttps://doi.org/10.1021/acsami.1c20964openalex-snapshot

Role of Noncovalent Interactions on the Electrocatalytic Oxidation of Ethanol in Alkali Metal Hydroxide Solutions

inferred← citeshttps://doi.org/10.1021/acsami.2c03604openalex-snapshot

Revealing the Nature of Active Sites on Pt–Gd and Pt–Pr Alloys during the Oxygen Reduction Reaction

inferred← citeshttps://doi.org/10.1021/acscatal.0c03801openalex-snapshot

“Beyond Adsorption” Descriptors in Hydrogen Electrocatalysis

inferred← citeshttps://doi.org/10.1021/acscatal.2c04914openalex-snapshot

Interfacial Water Manipulation with Ionic Liquids for the Oxygen Reduction Reaction

inferred← citeshttps://doi.org/10.1021/acscatal.7b02501openalex-snapshot

Core–Shell Nanostructured Cobalt–Platinum Electrocatalysts with Enhanced Durability

inferred← citeshttps://doi.org/10.1021/acscatal.8b01432openalex-snapshot

Quantifying Confidence in DFT Predicted Surface Pourbaix Diagrams and Associated Reaction Pathways for Chlorine Evolution

inferred← citeshttps://doi.org/10.1021/acssuschemeng.0c00524openalex-snapshot

Catalytic Transfer Hydrogenolysis of Bio-Polyols to Renewable Chemicals over Bimetallic PtPd/C Catalysts: Size-Dependent Activity and Selectivity

inferred← citeshttps://doi.org/10.1021/jacs.3c10701openalex-snapshot

Evidence of Spontaneous Formation of Two-Dimensional Amorphous Clathrates on Superhydrophilic Surfaces

inferred← citeshttps://doi.org/10.1021/jacs.9b02049openalex-snapshot

An Integrated Single-Electrode Method Reveals the Template Roles of Atomic Steps: Disturb Interfacial Water Networks and Thus Affect the Reactivity of Electrocatalysts

inferred← citeshttps://doi.org/10.1038/nenergy.2017.70openalex-snapshot

Stabilization of ultrathin (hydroxy)oxide films on transition metal substrates for electrochemical energy conversion

inferred← citeshttps://doi.org/10.1038/s41467-022-33256-2openalex-snapshot

Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis

inferred← citeshttps://doi.org/10.1038/s41586-024-07090-zopenalex-snapshot

Site-specific reactivity of stepped Pt surfaces driven by stress release

inferred← citeshttps://doi.org/10.1039/c6cp05711jopenalex-snapshot

Neural network molecular dynamics simulations of solid–liquid interfaces: water at low-index copper surfaces

inferred← citeshttps://doi.org/10.1039/c8cp01315bopenalex-snapshot

Unifying theoretical framework for deciphering the oxygen reduction reaction on platinum

inferred← citeshttps://doi.org/10.1039/c8cp07632dopenalex-snapshot

Water adsorption, dissociation and oxidation on SrTiO 3 and ferroelectric surfaces revealed by ambient pressure X-ray photoelectron spectroscopy

inferred← citeshttps://doi.org/10.1039/c8ta05114copenalex-snapshot

Thickness-tunable core–shell Co@Pt nanoparticles encapsulated in sandwich-like carbon sheets as an enhanced electrocatalyst for the oxygen reduction reaction

inferred← citeshttps://doi.org/10.1039/d5cp02907dopenalex-snapshot

Computational analysis of water coverage formation on Pt(111) surface under humid conditions with the effect of applied voltage

inferred← citeshttps://doi.org/10.1063/1.5056167openalex-snapshot

Quantifying robustness of DFT predicted pathways and activity determining elementary steps for electrochemical reactions

inferred← citeshttps://doi.org/10.1063/1.5129631openalex-snapshot

First-principles investigation of electrochemical dissolution of Pt nanoparticles and kinetic simulation

inferred← citeshttps://doi.org/10.1126/science.aat8051openalex-snapshot

Tunable intrinsic strain in two-dimensional transition metal electrocatalysts

inferred← citeshttps://doi.org/10.1149/1945-7111/abd3bcopenalex-snapshot

Direct Demonstration of Unified Brønsted−Evans−Polanyi Relationships for Proton-Coupled Electron Transfer Reactions on Transition Metal Surfaces

inferred← citeshttps://doi.org/10.26434/chemrxiv-2023-mxdcfopenalex-snapshot

Solvation enthalpy determination for aqueous-phase reaction adsorbates from first principles ab initio molecular dynamics

inferred← citeshttps://doi.org/10.33774/chemrxiv-2021-8fcxmopenalex-snapshot

Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis

inferred← citeshttps://doi.org/10.3390/catal14040224openalex-snapshot

Recent Advances on Computational Modeling of Supported Single-Atom and Cluster Catalysts: Characterization, Catalyst–Support Interaction, and Active Site Heterogeneity

Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.