Role of Dihydride and Dihydrogen Complexes in Hydrogen Evolution Reaction on Single-Atom Catalysts

Vertical-orbital band center as an activity descriptor for hydrogen evolution reaction on single-atom-anchored 2D catalysts

(2021) Wen Qiao et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Single Platinum Atoms Immobilized on Monolayer Tungsten Trioxide Nanosheets as an Efficient Electrocatalyst for Hydrogen Evolution Reaction

(2021) Deliang Wang et al.   ADVANCED FUNCTIONAL MATERIALS

Rh@C8N8 monolayer as a promising single-atom-catalyst for overall water splitting

(2021) Huimin Chen et al.   APPLIED SURFACE SCIENCE

Dynamics of bound states of dihydrogen at Cu(I) and Cu(II) species coordinated near one and two zeolite framework aluminium atoms: A combined sorption, INS, IR and DFT study

(2021) P.A. Georgiev et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Uncovering near-free platinum single-atom dynamics during electrochemical hydrogen evolution reaction

(2020) Shi Fang et al.   Nature Communications

Single-Atom Catalysts for Electrochemical Hydrogen Evolution Reaction: Recent Advances and Future Perspectives

(2020) Zonghua Pu et al.   Nano-Micro Letters

Hydrogen Evolution Reaction-From Single Crystal to Single Atom Catalysts

(2020) Sanjin J. Gutić et al.   Catalysts

Does a Thermoneutral Electrocatalyst Correspond to the Apex of a Volcano Plot for a Simple Two‐Electron Process?

(2020) Kai S. Exner   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Paradigm change in hydrogen electrocatalysis: The volcano's apex is located at weak bonding of the reaction intermediate

(2020) Kai S. Exner   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Hydrogen Evolution Reaction over Single-Atom Catalysts Based on Metal Adatoms at Defected Graphene and h-BN

(2020) Dušan N. Sredojević et al.   Journal of Physical Chemistry C

Single Atom Catalysts (SAC) Trapped in Defective and Nitrogen-doped Graphene Supported on Metal Substrates

(2020) Anu Baby et al.   CARBON

Modeling Hydrogen Evolution Reaction Kinetics through Explicit Water–Metal Interfaces

(2020) Michael T. Tang et al.   Journal of Physical Chemistry C

Rational Design of Graphene-Supported Single Atom Catalysts for Hydrogen Evolution Reaction

(2019) Md Delowar Hossain et al.   Advanced Energy Materials

Affordable Estimation of Solvation Contributions to the Adsorption Energies of Oxygenates on Metal Nanoparticles

(2019) Federico Calle-Vallejo et al.   Journal of Physical Chemistry C

A Combined experimental and theoretical study of the accelerated hydrogen evolution kinetics over wide pH range on porous transition metal doped tungsten phosphide electrocatalysts

(2019) Jiajun Wang et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

CoP-Doped MOF-Based Electrocatalyst for pH-Universal Hydrogen Evolution Reaction

(2019) Teng Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structural evolution of atomically dispersed Pt catalysts dictates reactivity

(2019) Leo DeRita et al.   NATURE MATERIALS

Reaction pathway of oxygen evolution on Pt(1 1 1) revealed through constant Fermi level molecular dynamics

(2019) Assil Bouzid et al.   JOURNAL OF CATALYSIS

Atomically dispersed platinum supported on curved carbon supports for efficient electrocatalytic hydrogen evolution

(2019) Daobin Liu et al.   Nature Energy

Nitrogen-doped CoP as robust electrocatalyst for high-efficiency pH-universal hydrogen evolution reaction

(2019) Yana Men et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Monoatomic Platinum-Anchored Metallic MoS2: Correlation between Surface Dopant and Hydrogen Evolution

(2019) Chuanqiang Wu et al.   Journal of Physical Chemistry Letters

Understanding Heterolytic H2 Cleavage and Water-Assisted Hydrogen Spillover on Fe3O4(001)-Supported Single Palladium Atoms

(2019) Nassar Doudin et al.   ACS Catalysis

The Comparison between Single Atom Catalysis and Surface Organometallic Catalysis

(2019) Manoja K. Samantaray et al.   CHEMICAL REVIEWS

Rh single atoms on TiO2 dynamically respond to reaction conditions by adapting their site

(2019) Yan Tang et al.   Nature Communications

A Challenge to the G ∼ 0 Interpretation of Hydrogen Evolution

(2019) Per Lindgren et al.   ACS Catalysis

Microwave-Assisted Rapid Synthesis of Graphene-Supported Single Atomic Metals

(2018) Huilong Fei et al.   ADVANCED MATERIALS

Ultralow Overpotential of Hydrogen Evolution Reaction Using Fe-Doped Defective Graphene: A Density Functional Study

(2018) Juhyung Lim et al.   ChemCatChem

Chemically activating MoS2 via spontaneous atomic palladium interfacial doping towards efficient hydrogen evolution

(2018) Zhaoyan Luo et al.   Nature Communications

Graphene Defects Trap Atomic Ni Species for Hydrogen and Oxygen Evolution Reactions

(2018) Longzhou Zhang et al.   Chem

Heterogeneous single-atom catalysis

(2018) Aiqin Wang et al.   Nature Reviews Chemistry

Heterostructures for Electrochemical Hydrogen Evolution Reaction: A Review

(2018) Guoqiang Zhao et al.   ADVANCED FUNCTIONAL MATERIALS

Measurements of Oxygen Electroadsorption Energies and Oxygen Evolution Reaction on RuO2(110): A Discussion of the Sabatier Principle and Its Role in Electrocatalysis

(2018) Ding-Yuan Kuo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Combining theory and experiment in electrocatalysis: Insights into materials design

(2017) Zhi Wei Seh et al.   SCIENCE

Computational screening for high-activity MoS2 monolayer-based catalysts for the oxygen reduction reaction via substitutional doping with transition metal

(2017) Zhongxu Wang et al.   Journal of Materials Chemistry A

Dihydrogen Complexation

(2016) Robert H. Crabtree   CHEMICAL REVIEWS

Controlling the hydrogenolysis of silica-supported tungsten pentamethyl leads to a class of highly electron deficient partially alkylated metal hydrides

(2016) Niladri Maity et al.   Chemical Science

Platinum single-atom and cluster catalysis of the hydrogen evolution reaction

(2016) Niancai Cheng et al.   Nature Communications

Design principles for hydrogen evolution reaction catalyst materials

(2016) Dusan Strmcnik et al.   Nano Energy

Recent developments of carbon-based electrocatalysts for hydrogen evolution reaction

(2016) Weijia Zhou et al.   Nano Energy

Nanoporous Graphene with Single-Atom Nickel Dopants: An Efficient and Stable Catalyst for Electrochemical Hydrogen Production

(2015) H.-J. Qiu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Triggering the electrocatalytic hydrogen evolution activity of the inert two-dimensional MoS2 surface via single-atom metal doping

(2015) Jiao Deng et al.   Energy & Environmental Science

Activity volcanoes for the electrocatalysis of homolytic and heterolytic hydrogen evolution

(2015) Marc T. M. Koper   JOURNAL OF SOLID STATE ELECTROCHEMISTRY

Atomic cobalt on nitrogen-doped graphene for hydrogen generation

(2015) Huilong Fei et al.   Nature Communications

Recent advances in semiconductors for photocatalytic and photoelectrochemical water splitting

(2014) Takashi Hisatomi et al.   CHEMICAL SOCIETY REVIEWS

Catalyzing the Hydrogen Evolution Reaction (HER) with Molybdenum Sulfide Nanomaterials

(2014) Jesse D. Benck et al.   ACS Catalysis

Graphene-related nanomaterials: tuning properties by functionalization

(2013) Qing Tang et al.   Nanoscale

Electrocatalyst approaches and challenges for automotive fuel cells

(2012) Mark K. Debe   NATURE

Recent developments in solar water-splitting photocatalysis

(2011) Frank E. Osterloh et al.   MRS BULLETIN

Single-atom catalysis of CO oxidation using Pt1/FeO x

(2011) Botao Qiao et al.   Nature Chemistry

Preparation of a Dihydrogen Complex of Cobalt

(2010) Travis J. Hebden et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Solar Water Splitting Cells

(2010) Michael G. Walter et al.   CHEMICAL REVIEWS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

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

Bis σ-Bond Dihydrogen and Borane Ruthenium Complexes: Bonding Nature, Catalytic Applications, and Reversible Hydrogen Release

(2009) Gilles Alcaraz et al.   ACCOUNTS OF CHEMICAL RESEARCH

Catalysis and Surface Organometallic Chemistry: A View from Theory and Simulations

(2009) Philippe Sautet et al.   CHEMICAL REVIEWS

Reactivity Theory of Transition-Metal Surfaces: A Brønsted−Evans−Polanyi Linear Activation Energy−Free-Energy Analysis

(2009) Rutger A. van Santen et al.   CHEMICAL REVIEWS

A site-isolated mononuclear iridium complex catalyst supported on MgO: Characterization by spectroscopy and aberration-corrected scanning transmission electron microscopy

(2009) Alper Uzun et al.   JOURNAL OF CATALYSIS

Reactions at Surfaces: From Atoms to Complexity (Nobel Lecture)

(2008) Gerhard Ertl   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Heterogeneous photocatalyst materials for water splitting

(2008) Akihiko Kudo et al.   CHEMICAL SOCIETY REVIEWS

Oxidation and Photo-Oxidation of Water on TiO2 Surface

(2008) Á. Valdés et al.   Journal of Physical Chemistry C