Direct correlation of oxygen adsorption on platinum-electrolyte interfaces with the activity in the oxygen reduction reaction

Understanding the Surface Reactivity of Ligand-Protected Metal Nanoparticles for Biomass Upgrading

(2020) Lesli O. Mark et al.   ACS Catalysis

Enhancement of oxygen reduction reaction activity by grain boundaries in platinum nanostructures

(2020) Enbo Zhu et al.   Nano Research

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

(2019) Xiao Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Peptide-Assisted 2-D Assembly toward Free-Floating Ultrathin Platinum Nanoplates as Effective Electrocatalysts

(2019) Enbo Zhu et al.   NANO LETTERS

Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction

(2018) Ambarish Kulkarni et al.   CHEMICAL REVIEWS

Explanation of Dramatic pH-Dependence of Hydrogen Binding on Noble Metal Electrode: Greatly Weakened Water Adsorption at High pH

(2018) Tao Cheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard–Jones potential

(2018) Isidro Lorenzo Geada et al.   Nature Communications

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

(2017) Zheng-Da He et al.   Journal of Physical Chemistry Letters

In situ observation of Pt oxides on the low index planes of Pt using surface enhanced Raman spectroscopy

(2017) Fumiya Sugimura et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mechanism and kinetics of the electrocatalytic reaction responsible for the high cost of hydrogen fuel cells

(2017) Tao Cheng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Observing the oxidation of platinum

(2017) Matthijs A. van Spronsen et al.   Nature Communications

Simultaneous Improvements in Performance and Durability of an Octahedral PtNix/C Electrocatalyst for Next-Generation Fuel Cells by Continuous, Compressive, and Concave Pt Skin Layers

(2017) Xiao Zhao et al.   ACS Catalysis

Simulations of inorganic–bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities

(2016) Hendrik Heinz et al.   CHEMICAL SOCIETY REVIEWS

Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction

(2016) Mufan Li et al.   SCIENCE

Catalytic activity of Pt38 in the oxygen reduction reaction from first-principles simulations

(2016) Luca Sementa et al.   Catalysis Science & Technology

Elucidation of Peptide-Directed Palladium Surface Structure for Biologically Tunable Nanocatalysts

(2015) Nicholas M. Bedford et al.   ACS Nano

Molecular Mechanism of Specific Recognition of Cubic Pt Nanocrystals by Peptides and of the Concentration-Dependent Formation from Seed Crystals

(2015) Hadi Ramezani-Dakhel et al.   ADVANCED FUNCTIONAL MATERIALS

Design of electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions

(2015) Yan Jiao et al.   CHEMICAL SOCIETY REVIEWS

Reverse Monte Carlo investigations concerning recent isotopic substitution neutron diffraction data on liquid water

(2015) Ildikó Pethes et al.   JOURNAL OF MOLECULAR LIQUIDS

High-performance transition metal-doped Pt3Ni octahedra for oxygen reduction reaction

(2015) X. Huang et al.   SCIENCE

The atomistic origin of the extraordinary oxygen reduction activity of Pt3Ni7 fuel cell catalysts

(2015) Alessandro Fortunelli et al.   Chemical Science

Oxygen Reduction in Alkaline Media: From Mechanisms to Recent Advances of Catalysts

(2015) Xiaoming Ge et al.   ACS Catalysis

Elastic constants of cubic crystals

(2014) M. Jamal et al.   COMPUTATIONAL MATERIALS SCIENCE

Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD

(2013) Toni Giorgino   COMPUTER PHYSICS COMMUNICATIONS

CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data

(2013) Jing Huang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Finding Correlations of the Oxygen Reduction Reaction Activity of Transition Metal Catalysts with Parameters Obtained from Quantum Mechanics

(2013) Ted H. Yu et al.   Journal of Physical Chemistry C

Insights into the adsorption of oxygen and water on low-index Pt surfaces by molecular dynamics simulations

(2013) Rui Li et al.   NEW JOURNAL OF CHEMISTRY

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

(2013) Hernan Sanchez Casalongue et al.   Nature Communications

Mechanism for Oxygen Reduction Reaction on Pt3Ni Alloy Fuel Cell Cathode

(2012) Yao Sha et al.   Journal of Physical Chemistry C

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

(2011) Naveen Michaud-Agrawal et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Oxygen Hydration Mechanism for the Oxygen Reduction Reaction at Pt and Pd Fuel Cell Catalysts

(2011) Yao Sha et al.   Journal of Physical Chemistry Letters

Good Practices in Free-Energy Calculations

(2010) Andrew Pohorille et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Theoretical Study of Solvent Effects on the Platinum-Catalyzed Oxygen Reduction Reaction

(2010) Yao Sha et al.   Journal of Physical Chemistry Letters

In situ X-ray probing reveals fingerprints of surface platinum oxide

(2010) Daniel Friebel et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd−Au Bimetal Surfaces in Aqueous Solution

(2009) Hendrik Heinz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Surface energies, work functions, and surface relaxations of low-index metallic surfaces from first principles

(2009) Nicholas E. Singh-Miller et al.   PHYSICAL REVIEW B

Water at an electrochemical interface—a simulation study

(2008) Adam P. Willard et al.   FARADAY DISCUSSIONS

Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12−6 and 9−6 Lennard-Jones Potentials

(2008) Hendrik Heinz et al.   Journal of Physical Chemistry C

First-Principles Analysis of the Initial Electroreduction Steps of Oxygen over Pt(111)

(2008) Michael J. Janik et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY