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

Energy and fuels from electrochemical interfaces

(2017) Vojislav R. Stamenkovic et al.   NATURE MATERIALS

Platinum-nickel hydroxide nanocomposites for electrocatalytic reduction of water

(2017) Lei Wang et al.   Nano Energy

Tuning the Reactivity of Ultrathin Oxides: NO Adsorption on Monolayer FeO(111)

(2016) Lindsay R. Merte et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

On the pH dependence of electrochemical proton transfer barriers

(2016) Jan Rossmeisl et al.   CATALYSIS TODAY

Single layer graphene encapsulating non-precious metals as high-performance electrocatalysts for water oxidation

(2016) Xiaoju Cui et al.   Energy & Environmental Science

Potential Dependence of Electrochemical Barriers from ab Initio Calculations

(2016) Karen Chan et al.   Journal of Physical Chemistry Letters

Oxygen Evolution Reaction Dynamics, Faradaic Charge Efficiency, and the Active Metal Redox States of Ni–Fe Oxide Water Splitting Electrocatalysts

(2016) Mikaela Görlin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Activities and Stabilities of Au-Modified Stepped-Pt Single-Crystal Electrodes as Model Cathode Catalysts in Polymer Electrolyte Fuel Cells

(2016) Kensaku Kodama et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tuning the activity of Pt alloy electrocatalysts by means of the lanthanide contraction

(2016) M. Escudero-Escribano et al.   SCIENCE

Oxygen evolution reaction electrocatalysis on SrIrO3 grown using molecular beam epitaxy

(2016) Runbang Tang et al.   Journal of Materials Chemistry A

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

(2016) Zhenhua Zeng et al.   Nano Energy

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

(2016) Michael Busch et al.   Nano Energy

Gold-supported cerium-doped NiOx catalysts for water oxidation

(2016) Jia Wei Desmond Ng et al.   Nature Energy

Interface Controlled Oxidation States in Layered Cobalt Oxide Nanoislands on Gold

(2015) Alex S. Walton et al.   ACS Nano

Direct Visualization of Catalytically Active Sites at the FeO–Pt(111) Interface

(2015) Wilhelmine Kudernatsch et al.   ACS Nano

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

(2015) Andre Clayborne et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

(2015) Zhenhua Zeng et al.   Journal of Physical Chemistry C

pH and Alkali Cation Effects on the Pt Cyclic Voltammogram Explained Using Density Functional Theory

(2015) Ian T. McCrum et al.   Journal of Physical Chemistry C

Some challenges in the first-principles modeling of structures and processes in electrochemical energy storage and transfer

(2015) Nicolas G. Hörmann et al.   JOURNAL OF POWER SOURCES

Oxygen evolution on well-characterized mass-selected Ru and RuO2 nanoparticles

(2015) Elisa A. Paoli et al.   Chemical Science

Correlating hydrogen oxidation and evolution activity on platinum at different pH with measured hydrogen binding energy

(2015) Wenchao Sheng et al.   Nature Communications

Ultrathin platinum nanowires grown on single-layered nickel hydroxide with high hydrogen evolution activity

(2015) Huajie Yin et al.   Nature Communications

Optimizing the Volmer Step by Single-Layer Nickel Hydroxide Nanosheets in Hydrogen Evolution Reaction of Platinum

(2015) Lei Wang et al.   ACS Catalysis

Toward an Active and Stable Catalyst for Oxygen Evolution in Acidic Media: Ti-Stabilized MnO2

(2015) Rasmus Frydendal et al.   Advanced Energy Materials

Using Surface Segregation To Design Stable Ru-Ir Oxides for the Oxygen Evolution Reaction in Acidic Environments

(2014) Nemanja Danilovic et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

New insights into the electrochemical hydrogen oxidation and evolution reaction mechanism

(2014) J. Durst et al.   Energy & Environmental Science

Non-precious metal electrocatalysts with high activity for hydrogen oxidation reaction in alkaline electrolytes

(2014) Wenchao Sheng et al.   Energy & Environmental Science

Interfacial Effects in Iron-Nickel Hydroxide-Platinum Nanoparticles Enhance Catalytic Oxidation

(2014) G. Chen et al.   SCIENCE

Interface-Confined Oxide Nanostructures for Catalytic Oxidation Reactions

(2013) Qiang Fu et al.   ACCOUNTS OF CHEMICAL RESEARCH

Improving the hydrogen oxidation reaction rate by promotion of hydroxyl adsorption

(2013) Dusan Strmcnik et al.   Nature Chemistry

Compositional segregation in shaped Pt alloy nanoparticles and their structural behaviour during electrocatalysis

(2013) Chunhua Cui et al.   NATURE MATERIALS

Oxygen reduction reaction on stepped platinum surfaces in alkaline media

(2013) Ruben Rizo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Generalized trends in the formation energies of perovskite oxides

(2013) ZhenHua Zeng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Catalytic Activity of Pt Nano-Particles for H2 Formation

(2013) Egill Skúlason et al.   TOPICS IN CATALYSIS

Enhancing the Alkaline Hydrogen Evolution Reaction Activity through the Bifunctionality of Ni(OH)2/Metal Catalysts

(2012) N. Danilovic et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ultrathin Oxide Films on Metal Supports: Structure-Reactivity Relations

(2012) S. Shaikhutdinov et al.   Annual Review of Physical Chemistry

Structure–Property Relationship and Chemical Aspects of Oxide–Metal Hybrid Nanostructures

(2012) Svetlozar Surnev et al.   CHEMICAL REVIEWS

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

(2012) Jeffrey Greeley et al.   Energy & Environmental Science

Theoretical Study of the Role of a Metal–Cation Ensemble at the Oxide–Metal Boundary on CO Oxidation

(2012) Dapeng Sun et al.   Journal of Physical Chemistry C

Synthesis and Activities of Rutile IrO2 and RuO2 Nanoparticles for Oxygen Evolution in Acid and Alkaline Solutions

(2012) Youngmin Lee et al.   Journal of Physical Chemistry Letters

Meso-Structured Platinum Thin Films: Active and Stable Electrocatalysts for the Oxygen Reduction Reaction

(2012) Jakob Kibsgaard et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Trends in activity for the water electrolyser reactions on 3d M(Ni,Co,Fe,Mn) hydr(oxy)oxide catalysts

(2012) Ram Subbaraman et al.   NATURE MATERIALS

Water-Mediated Proton Hopping on an Iron Oxide Surface

(2012) L. R. Merte et al.   SCIENCE

Electrocatalytic Oxygen Evolution Reaction (OER) on Ru, Ir, and Pt Catalysts: A Comparative Study of Nanoparticles and Bulk Materials

(2012) Tobias Reier et al.   ACS Catalysis

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Enhancing Hydrogen Evolution Activity in Water Splitting by Tailoring Li+-Ni(OH)2-Pt Interfaces

(2011) R. Subbaraman et al.   SCIENCE

Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations

(2010) Egill Skúlason et al.   Journal of Physical Chemistry C

Interface-Confined Ferrous Centers for Catalytic Oxidation

(2010) Q. Fu et al.   SCIENCE

Surface Pourbaix diagrams and oxygen reduction activity of Pt, Ag and Ni(111) surfaces studied by DFT

(2008) Heine A. Hansen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS