Graphite-Supported Ptn Cluster Electrocatalysts: Major Change of Active Sites as a Function of the Applied Potential

Enhanced oxygen reduction activity of size-selected platinum subnanocluster catalysts: Ptn (n = 3–9)

(2022) Akira Ohnuma et al.   Catalysis Science & Technology

Fluxionality of Subnano Clusters Reshapes the Activity Volcano of Electrocatalysis

(2022) Zisheng Zhang et al.   ChemCatChem

Multilevel Computational Studies Reveal the Importance of Axial Ligand for Oxygen Reduction Reaction on Fe–N–C Materials

(2022) Phillips Hutchison et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

What is the Real Origin of the Activity of Fe–N–C Electrocatalysts in the O2 Reduction Reaction? Critical Roles of Coordinating Pyrrolic N and Axially Adsorbing Species

(2022) Xu Hu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

When Fluxionality Beats Size Selection: Acceleration of Ostwald Ripening of Sub‐Nano Clusters

(2021) Borna Zandkarimi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Atomic Structural Evolution of Single‐Layer Pt Clusters as Efficient Electrocatalysts

(2021) Bin‐Wei Zhang et al.   Small

The Oxygen Reduction Reaction on Pt: Why Particle Size and Interparticle Distance Matter

(2021) Masanori Inaba et al.   ACS Catalysis

Atomic-Scale Mechanisms of Electrochemical Pt Dissolution

(2021) Zhiyao Duan et al.   ACS Catalysis

Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces

(2020) Zisheng Zhang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Atomistic modeling of electrocatalysis: Are we there yet?

(2020) Nawras Abidi et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Hydrogen Evolution on Restructured B-Rich WB: Metastable Surface States and Isolated Active Sites

(2020) Zisheng Zhang et al.   ACS Catalysis

Dynamics of Subnanometer Pt Clusters Can Break the Scaling Relationships in Catalysis

(2019) Borna Zandkarimi et al.   Journal of Physical Chemistry Letters

Ab Initio Thermodynamics Insight into the Structural Evolution of Working IrO2 Catalysts in Proton-Exchange Membrane Electrolyzers

(2019) Daniel Opalka et al.   ACS Catalysis

Constant Electrode Potential Quantum Mechanical Study of CO2 Electrochemical Reduction Catalyzed by N-Doped Graphene

(2019) Kuan Chang et al.   ACS Catalysis

Advances and challenges in modeling solvated reaction mechanisms for renewable fuels and chemicals

(2019) Yasemin Basdogan et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Strategies to break linear scaling relationships

(2019) Javier Pérez-Ramírez et al.   Nature Catalysis

Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction

(2018) Ambarish Kulkarni et al.   CHEMICAL REVIEWS

Perspective: Size selected clusters for catalysis and electrochemistry

(2018) Avik Halder et al.   JOURNAL OF CHEMICAL PHYSICS

Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pt7 on Al2O3

(2018) Huanchen Zhai et al.   Journal of Physical Chemistry Letters

Origin of the overpotentials for HCOO− and CO formation in the electroreduction of CO2 on Cu(211): the reductive desorption processes decide

(2018) Ling Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

OH formation and H2 adsorption at the liquid water–Pt(111) interface

(2018) Henrik H. Kristoffersen et al.   Chemical Science

High resolution transmission electron microscopy and electronic structure theory investigation of platinum nanoparticles on carbon black

(2018) Corentin Poidevin et al.   JOURNAL OF CHEMICAL PHYSICS

Grand-canonical approach to density functional theory of electrocatalytic systems: Thermodynamics of solid-liquid interfaces at constant ion and electrode potentials

(2018) Marko M. Melander et al.   JOURNAL OF CHEMICAL PHYSICS

Challenges in Modeling Electrochemical Reaction Energetics with Polarizable Continuum Models

(2018) Joseph A. Gauthier et al.   ACS Catalysis

Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

(2017) Ravishankar Sundararaman et al.   JOURNAL OF CHEMICAL PHYSICS

Fluxionality of Catalytic Clusters: When It Matters and How to Address It

(2017) Huanchen Zhai et al.   ACS Catalysis

Ethylene Dehydrogenation on Pt4,7,8 Clusters on Al2O3: Strong Cluster Size Dependence Linked to Preferred Catalyst Morphologies

(2017) Eric T. Baxter et al.   ACS Catalysis

Electrocatalysis by Mass-Selected Ptn Clusters

(2016) Alexander von Weber et al.   ACCOUNTS OF CHEMICAL RESEARCH

Influence of sp3–sp2 Carbon Nanodomains on Metal/Support Interaction, Catalyst Durability, and Catalytic Activity for the Oxygen Reduction Reaction

(2016) Carlos A. Campos-Roldán et al.   ACS Applied Materials & Interfaces

Ensemble-Average Representation of Pt Clusters in Conditions of Catalysis Accessed through GPU Accelerated Deep Neural Network Fitting Global Optimization

(2016) Huanchen Zhai et al.   Journal of Chemical Theory and Computation

Assessing a First-Principles Model of an Electrochemical Interface by Comparison with Experiment

(2016) Stephan N. Steinmann et al.   Journal of Physical Chemistry C

Identification of Possible Pathways for C–C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical Model

(2016) Jason D. Goodpaster et al.   Journal of Physical Chemistry Letters

The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO2 (110) Surface

(2016) Yuan Ping et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical investigation on the interaction of subnano platinum clusters with graphene using DFT methods

(2015) Qiaofang Qi et al.   COMPUTATIONAL MATERIALS SCIENCE

Cluster Size Controls Branching between Water and Hydrogen Peroxide Production in Electrochemical Oxygen Reduction at Ptn/ITO

(2015) Alexander von Weber et al.   Journal of Physical Chemistry C

Size-dependent electronic structure controls activity for ethanol electro-oxidation at Ptn/indium tin oxide (n = 1 to 14)

(2015) Alexander von Weber et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Impacts of electrode potentials and solvents on the electroreduction of CO2: a comparison of theoretical approaches

(2015) Stephan N. Steinmann et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic interaction between platinum nanoparticles and nitrogen-doped reduced graphene oxide: effect on the oxygen reduction reaction

(2015) Jiwei Ma et al.   Journal of Materials Chemistry A

Promotion of Pt surfaces for ethanol electro-oxidation by the addition of small SnO2 nanoparticles: Activity and mechanism

(2014) Joseph W. Magee et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

(2014) Kiran Mathew et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2014) Heine A. Hansen et al.   Journal of Physical Chemistry C

Pure and Zn-doped Pt clusters go flat and upright on MgO(100)

(2014) Lu Shen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Water-Splitting Catalysis and Solar Fuel Devices: Artificial Leaves on the Move

(2013) Khurram Saleem Joya et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Interaction of Platinum Nanoparticles with Graphitic Carbon Structures: A Computational Study

(2013) Wolfgang B. Schneider et al.   CHEMPHYSCHEM

Strong Effects of Cluster Size and Air Exposure on Oxygen Reduction and Carbon Oxidation Electrocatalysis by Size-Selected Ptn (n ≤ 11) on Glassy Carbon Electrodes

(2013) Sebastian Proch et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Interactions of platinum clusters with a graphite substrate

(2013) G. Ramos-Sanchez et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Kinetics of hydrogen underpotential deposition at polycrystalline platinum in acidic solutions

(2012) Bożena Łosiewicz et al.   ELECTROCHIMICA ACTA

Improving Platinum Catalyst Durability with a Doped Graphene Support

(2012) Michael N. Groves et al.   Journal of Physical Chemistry C

Opportunities and challenges for a sustainable energy future

(2012) Steven Chu et al.   NATURE

Electrocatalyst approaches and challenges for automotive fuel cells

(2012) Mark K. Debe   NATURE

Modelling electrified interfaces in quantum chemistry: constant charge vs. constant potential

(2012) Udo Benedikt et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-Principles Molecular Dynamics at a Constant Electrode Potential

(2012) Nicéphore Bonnet et al.   PHYSICAL REVIEW LETTERS

DFT-Based Study on Oxygen Adsorption on Defective Graphene-Supported Pt Nanoparticles

(2011) Dong-Hee Lim et al.   Journal of Physical Chemistry C

Comparative study of different fuel cell technologies

(2011) S. Mekhilef et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Enhanced activity and stability of Pt catalysts on functionalized graphene sheets for electrocatalytic oxygen reduction

(2009) Rong Kou et al.   ELECTROCHEMISTRY COMMUNICATIONS

Electrocatalytically Active Graphene-Platinum Nanocomposites. Role of 2-D Carbon Support in PEM Fuel Cells

(2009) Brian Seger et al.   Journal of Physical Chemistry C