Ruthenium atomically dispersed in carbon outperforms platinum toward hydrogen evolution in alkaline media

Nanoceria-Supported Ruthenium(0) Nanoparticles: Highly Active and Stable Catalysts for Hydrogen Evolution from Water

(2018) Elif Demir et al.   ACS Applied Materials & Interfaces

Carbon-Quantum-Dots-Loaded Ruthenium Nanoparticles as an Efficient Electrocatalyst for Hydrogen Production in Alkaline Media

(2018) Weidong Li et al.   ADVANCED MATERIALS

Tuning the Activity of Carbon for Electrocatalytic Hydrogen Evolution via an Iridium-Cobalt Alloy Core Encapsulated in Nitrogen-Doped Carbon Cages

(2018) Peng Jiang et al.   ADVANCED MATERIALS

Efficient and Robust Hydrogen Evolution: Phosphorus Nitride Imide Nanotubes as Supports for Anchoring Single Ruthenium Sites

(2018) Jian Yang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

(2018) Yao Zheng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Highly uniform Ru nanoparticles over N-doped carbon: pH and temperature-universal hydrogen release from water reduction

(2018) Jing Wang et al.   Energy & Environmental Science

Dual Tuning of Ni–Co–A (A = P, Se, O) Nanosheets by Anion Substitution and Holey Engineering for Efficient Hydrogen Evolution

(2018) Zhiwei Fang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Efficient Hydrogen Evolution on Cu Nanodots-Decorated Ni3S2 Nanotubes by Optimizing Atomic Hydrogen Adsorption and Desorption

(2018) Jin-Xian Feng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ru Modulation Effects in the Synthesis of Unique Rod-like Ni@Ni2P–Ru Heterostructures and Their Remarkable Electrocatalytic Hydrogen Evolution Performance

(2018) Ying Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crystallinity Dependence of Ruthenium Nanocatalyst toward Hydrogen Evolution Reaction

(2018) Yutong Li et al.   ACS Catalysis

Low-ruthenium-content NiRu nanoalloys encapsulated in nitrogen-doped carbon as highly efficient and pH-universal electrocatalysts for the hydrogen evolution reaction

(2018) You Xu et al.   Journal of Materials Chemistry A

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

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

Uncoordinated Amine Groups of Metal–Organic Frameworks to Anchor Single Ru Sites as Chemoselective Catalysts toward the Hydrogenation of Quinoline

(2017) Xin Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An efficient and pH-universal ruthenium-based catalyst for the hydrogen evolution reaction

(2017) Javeed Mahmood et al.   Nature Nanotechnology

Hydrogen evolution reaction catalyzed by ruthenium ion-complexed graphitic carbon nitride nanosheets

(2017) Yi Peng et al.   Journal of Materials Chemistry A

Ruthenium/nitrogen-doped carbon as an electrocatalyst for efficient hydrogen evolution in alkaline solution

(2017) J. Zhang et al.   Journal of Materials Chemistry A

Identifying the electrocatalytic sites of nickel disulfide in alkaline hydrogen evolution reaction

(2017) Qiuyu Ma et al.   Nano Energy

Templating synthesis of ternary PtPdTe nanowires with tunable diameter for methanol electrooxidation

(2016) Jie Xu et al.   CRYSTENGCOMM

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

High Electrocatalytic Hydrogen Evolution Activity of an Anomalous Ruthenium Catalyst

(2016) Yao Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Origin of the catalytic activity of face-centered-cubic ruthenium nanoparticles determined from an atomic-scale structure

(2016) L. S. R. Kumara et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A highly active and stable IrO x /SrIrO 3 catalyst for the oxygen evolution reaction

(2016) Linsey C. Seitz et al.   SCIENCE

Palladium Nanoparticle–Graphitic Carbon Nitride Porous Synergistic Catalyst for Hydrogen Evolution/Oxidation Reactions over a Broad Range of pH and Correlation of Its Catalytic Activity with Measured Hydrogen Binding Energy

(2016) Tanmay Bhowmik et al.   ACS Catalysis

Mn Doping of CoP Nanosheets Array: An Efficient Electrocatalyst for Hydrogen Evolution Reaction with Enhanced Activity at All pH Values

(2016) Tingting Liu et al.   ACS Catalysis

Exploring the Ruthenium-Ligands Bond and Their Relative Properties at Different Computational Methods

(2016) Adebayo A. Adeniyi et al.   Journal of Chemistry

Macroscopic-scale synthesis of nitrogen-doped carbon nanofiber aerogels by template-directed hydrothermal carbonization of nitrogen-containing carbohydrates

(2016) Lu-Ting Song et al.   Nano Energy

Design principles for hydrogen evolution reaction catalyst materials

(2016) Dusan Strmcnik et al.   Nano Energy

N,P-Codoped Carbon Networks as Efficient Metal-free Bifunctional Catalysts for Oxygen Reduction and Hydrogen Evolution Reactions

(2015) Jintao Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Recycling Nanowire Templates for Multiplex Templating Synthesis: A Green and Sustainable Strategy

(2015) Jin-Long Wang et al.   CHEMISTRY-A EUROPEAN JOURNAL

The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model

(2015) Ravishankar Sundararaman et al.   JOURNAL OF CHEMICAL PHYSICS

In situ growth of ruthenium oxide-nickel oxide nanorod arrays on nickel foam as a binder-free integrated cathode for hydrogen evolution

(2015) Li Zhang et al.   JOURNAL OF POWER SOURCES

Design of active and stable Co–Mo–S x chalcogels as pH-universal catalysts for the hydrogen evolution reaction

(2015) Jakub Staszak-Jirkovský et al.   NATURE MATERIALS

Solvation effects on the band edge positions of photocatalysts from first principles

(2015) Yuan Ping et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Combinatorial Search for High-Activity Hydrogen Catalysts Based on Transition-Metal-Embedded Graphitic Carbons

(2015) Woon Ih Choi et al.   Advanced Energy Materials

A new generation of alloyed/multimetal chalcogenide nanowires by chemical transformation

(2015) Y. Yang et al.   Science Advances

Nanostructured hydrotreating catalysts for electrochemical hydrogen evolution

(2014) Carlos G. Morales-Guio et al.   CHEMICAL SOCIETY REVIEWS

XSEDE: Accelerating Scientific Discovery

(2014) John Towns et al.   COMPUTING IN SCIENCE & ENGINEERING

New insights into the electrochemical hydrogen oxidation and evolution reaction mechanism

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

Nickel–silver alloy electrocatalysts for hydrogen evolution and oxidation in an alkaline electrolyte

(2014) Maureen H. Tang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Pseudopotentials for high-throughput DFT calculations

(2013) Kevin F. Garrity et al.   COMPUTATIONAL MATERIALS SCIENCE

Correlating the hydrogen evolution reaction activity in alkaline electrolytes with the hydrogen binding energy on monometallic surfaces

(2013) Wenchao Sheng et al.   Energy & Environmental Science

Density functional theory model study of size and structure effects on water dissociation by platinum nanoparticles

(2012) José L. C. Fajín et al.   JOURNAL OF CHEMICAL PHYSICS

Modeling the Structure and Composition of Nanoparticles by Extended X-Ray Absorption Fine-Structure Spectroscopy

(2011) Anatoly I. Frenkel et al.   Annual Review of Analytical Chemistry

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

(2011) R. Subbaraman et al.   SCIENCE

Tailoring the local structure and electronic property of AuPd nanoparticles by selecting capping molecules

(2010) Feng Liu et al.   APPLIED PHYSICS LETTERS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

First-principles calculations of x-ray absorption in a scheme based on ultrasoft pseudopotentials: Fromα-quartz to high-Tccompounds

(2009) Christos Gougoussis et al.   PHYSICAL REVIEW B

Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases

(2008) Vincenzo Barone et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY