Superior electrocatalytic hydrogen evolution at engineered non-stoichiometric two-dimensional transition metal dichalcogenide edges

Hu, Guoxiang; Fung, Victor; Sang, Xiahan; Unocic, Raymond R.; Ganesh, P.

doi:10.1039/C9TA05546K

Title: Superior electrocatalytic hydrogen evolution at engineered non-stoichiometric two-dimensional transition metal dichalcogenide edges

Abstract

Compared with the stoichiometric edges (ZZSe and ZZMo), there is a wider family of synthesizable non-stoichiometric MoSe ₂ edges, where the degree of non-stoichiometry can be tuned to potentially achieve optimal HER activity.

Authors:

^[1];

^[2];

^[1];

^[1]

Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, USA
Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, USA, NRC (Nanostructure Research Centre)

Publication Date:: 2019-08-06

Sponsoring Org.:: USDOE

OSTI Identifier:: 1543172

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Materials Chemistry. A

Additional Journal Information:: Journal Name: Journal of Materials Chemistry. A Journal Volume: 7 Journal Issue: 31; Journal ID: ISSN 2050-7488

Publisher:: Royal Society of Chemistry (RSC)

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Hu, Guoxiang, Fung, Victor, Sang, Xiahan, Unocic, Raymond R., and Ganesh, P.. Superior electrocatalytic hydrogen evolution at engineered non-stoichiometric two-dimensional transition metal dichalcogenide edges.  United Kingdom: N. p., 2019. 
Web.  doi:10.1039/C9TA05546K.

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                    Hu, Guoxiang, Fung, Victor, Sang, Xiahan, Unocic, Raymond R., & Ganesh, P.. Superior electrocatalytic hydrogen evolution at engineered non-stoichiometric two-dimensional transition metal dichalcogenide edges.  United Kingdom.  https://doi.org/10.1039/C9TA05546K

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                    Hu, Guoxiang, Fung, Victor, Sang, Xiahan, Unocic, Raymond R., and Ganesh, P.. Tue .  
"Superior electrocatalytic hydrogen evolution at engineered non-stoichiometric two-dimensional transition metal dichalcogenide edges".  United Kingdom.  https://doi.org/10.1039/C9TA05546K.

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@article{osti_1543172,

  title        = {Superior electrocatalytic hydrogen evolution at engineered non-stoichiometric two-dimensional transition metal dichalcogenide edges},

  author       = {Hu, Guoxiang and Fung, Victor and Sang, Xiahan and Unocic, Raymond R. and Ganesh, P.},

  abstractNote = {Compared with the stoichiometric edges (ZZSe and ZZMo), there is a wider family of synthesizable non-stoichiometric MoSe 2 edges, where the degree of non-stoichiometry can be tuned to potentially achieve optimal HER activity.},

  doi          = {10.1039/C9TA05546K},

  journal      = {Journal of Materials Chemistry. A},

  number       = 31,

  volume       = 7,

  place        = {United Kingdom},

  year         = {2019},

  month        = {8}

}

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Cited by: 23 works

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Works referenced in this record:

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Title: Superior electrocatalytic hydrogen evolution at engineered non-stoichiometric two-dimensional transition metal dichalcogenide edges

Abstract

Citation Formats

Role of Chemical Potential in Flake Shape and Edge Properties of Monolayer MoS 2 journal, February 2015

Generalized Gradient Approximation Made Simple journal, October 1996

A theory of overpotential journal, January 1927

Universal Surface Engineering of Transition Metals for Superior Electrocatalytic Hydrogen Evolution in Neutral Water journal, August 2017

Projector augmented-wave method journal, December 1994

MoS2 Nanoparticles Grown on Graphene An Advanced Catalyst for the Hydrogen Evolution Reaction journal, May 2011

Mo-Terminated Edge Reconstructions in Nanoporous Molybdenum Disulfide Film journal, December 2017

Mn doped MoS 2 /reduced graphene oxide hybrid for enhanced hydrogen evolution journal, December 2017

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Highly Active Electrocatalysis of the Hydrogen Evolution Reaction by Cobalt Phosphide Nanoparticles journal, April 2014

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT: Tool to Extract Chemical Bonding journal, February 2016

E LECTRONIC S TRUCTURE AND C ATALYSIS ON M ETAL S URFACES journal, October 2002

Transition-metal doped edge sites in vertically aligned MoS2 catalysts for enhanced hydrogen evolution journal, January 2015

Hydrogen adsorption on MoS 2 -surfaces: a DFT study on preferential sites and the effect of sulfur and hydrogen coverage journal, January 2017

Über die Polarisation bei kathodischer Wasserstoffentwicklung journal, January 1905

The Influence of Local Distortions on Proton Mobility in Acceptor Doped Perovskites journal, June 2018

Enhancing Catalytic Activity of MoS 2 Basal Plane S-Vacancy by Co Cluster Addition journal, October 2018

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

Atomic and electronic structure of MoS 2 nanoparticles journal, February 2003

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data journal, October 2011

Recent Strategies for Improving the Catalytic Activity of 2D TMD Nanosheets Toward the Hydrogen Evolution Reaction journal, February 2016

Flexible metallic nanowires with self-adaptive contacts to semiconducting transition-metal dichalcogenide monolayers journal, April 2014

Defect Genome of Cubic Perovskites for Fuel Cell Applications journal, November 2017

Hydrogen: An Overview journal, October 2007

In situ edge engineering in two-dimensional transition metal dichalcogenides journal, May 2018

Advancing the Electrochemistry of the Hydrogen-Evolution Reaction through Combining Experiment and Theory journal, November 2014

Ultrathin MoS 2(1– x ) Se 2 x Alloy Nanoflakes For Electrocatalytic Hydrogen Evolution Reaction journal, March 2015

Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations journal, August 1993

Catalysts for Hydrogen Evolution from the [NiFe] Hydrogenase to the Ni 2 P(001) Surface: The Importance of Ensemble Effect journal, October 2005

Dual-Functional N Dopants in Edges and Basal Plane of MoS 2 Nanosheets Toward Efficient and Durable Hydrogen Evolution journal, December 2016

Substantial Impact of Charge on Electrochemical Reactions of Two-Dimensional Materials journal, June 2018

Trends in the Exchange Current for Hydrogen Evolution journal, January 2005

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets journal, June 2011

Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals journal, June 2004

Conducting MoS 2 Nanosheets as Catalysts for Hydrogen Evolution Reaction journal, November 2013

Activation of the MoSe 2 basal plane and Se-edge by B doping for enhanced hydrogen evolution journal, January 2018

CoP for hydrogen evolution: implications from hydrogen adsorption journal, January 2016

Activating Basal Planes and S-Terminated Edges of MoS 2 toward More Efficient Hydrogen Evolution journal, December 2016

Intrinsic Structural Defects in Monolayer Molybdenum Disulfide journal, May 2013

Identification of Active Edge Sites for Electrochemical H2 Evolution from MoS2 Nanocatalysts journal, July 2007

Influence of Nonstoichiometry on Proton Conductivity in Thin-Film Yttrium-Doped Barium Zirconate journal, January 2018

Nanostructured Nickel Phosphide as an Electrocatalyst for the Hydrogen Evolution Reaction journal, June 2013

Zur Theorie der Wasserstoff Überspannung journal, January 1930

Biomimetic Hydrogen Evolution: MoS 2 Nanoparticles as Catalyst for Hydrogen Evolution journal, April 2005

Active edge sites in MoSe 2 and WSe 2 catalysts for the hydrogen evolution reaction: a density functional study journal, January 2014

Role of Chemical Potential in Flake Shape and Edge Properties of Monolayer MoS ₂
journal, February 2015

Generalized Gradient Approximation Made Simple
journal, October 1996

A theory of overpotential
journal, January 1927

Universal Surface Engineering of Transition Metals for Superior Electrocatalytic Hydrogen Evolution in Neutral Water
journal, August 2017

Projector augmented-wave method
journal, December 1994

MoS₂ Nanoparticles Grown on Graphene An Advanced Catalyst for the Hydrogen Evolution Reaction
journal, May 2011

Mo-Terminated Edge Reconstructions in Nanoporous Molybdenum Disulfide Film
journal, December 2017

Mn doped MoS 2 /reduced graphene oxide hybrid for enhanced hydrogen evolution
journal, December 2017

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Highly Active Electrocatalysis of the Hydrogen Evolution Reaction by Cobalt Phosphide Nanoparticles
journal, April 2014

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT: Tool to Extract Chemical Bonding
journal, February 2016

E LECTRONIC S TRUCTURE AND C ATALYSIS ON M ETAL S URFACES
journal, October 2002

Transition-metal doped edge sites in vertically aligned MoS2 catalysts for enhanced hydrogen evolution
journal, January 2015

Hydrogen adsorption on MoS ₂ -surfaces: a DFT study on preferential sites and the effect of sulfur and hydrogen coverage
journal, January 2017

Über die Polarisation bei kathodischer Wasserstoffentwicklung
journal, January 1905

The Influence of Local Distortions on Proton Mobility in Acceptor Doped Perovskites
journal, June 2018

Enhancing Catalytic Activity of MoS ₂ Basal Plane S-Vacancy by Co Cluster Addition
journal, October 2018

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Atomic and electronic structure of ${MoS}_{2}$ nanoparticles
journal, February 2003

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
journal, October 2011

Recent Strategies for Improving the Catalytic Activity of 2D TMD Nanosheets Toward the Hydrogen Evolution Reaction
journal, February 2016

Flexible metallic nanowires with self-adaptive contacts to semiconducting transition-metal dichalcogenide monolayers
journal, April 2014

Defect Genome of Cubic Perovskites for Fuel Cell Applications
journal, November 2017

Hydrogen: An Overview
journal, October 2007

In situ edge engineering in two-dimensional transition metal dichalcogenides
journal, May 2018

Advancing the Electrochemistry of the Hydrogen-Evolution Reaction through Combining Experiment and Theory
journal, November 2014

Ultrathin MoS _{2(1– x )} Se _{2 x} Alloy Nanoflakes For Electrocatalytic Hydrogen Evolution Reaction
journal, March 2015

Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations
journal, August 1993

Catalysts for Hydrogen Evolution from the [NiFe] Hydrogenase to the Ni ₂ P(001) Surface: The Importance of Ensemble Effect
journal, October 2005

Dual-Functional N Dopants in Edges and Basal Plane of MoS ₂ Nanosheets Toward Efficient and Durable Hydrogen Evolution
journal, December 2016

Substantial Impact of Charge on Electrochemical Reactions of Two-Dimensional Materials
journal, June 2018

Trends in the Exchange Current for Hydrogen Evolution
journal, January 2005

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets
journal, June 2011

Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals
journal, June 2004

Conducting MoS ₂ Nanosheets as Catalysts for Hydrogen Evolution Reaction
journal, November 2013

Activation of the MoSe ₂ basal plane and Se-edge by B doping for enhanced hydrogen evolution
journal, January 2018

CoP for hydrogen evolution: implications from hydrogen adsorption
journal, January 2016

Activating Basal Planes and S-Terminated Edges of MoS ₂ toward More Efficient Hydrogen Evolution
journal, December 2016

Intrinsic Structural Defects in Monolayer Molybdenum Disulfide
journal, May 2013

Identification of Active Edge Sites for Electrochemical H₂ Evolution from MoS₂ Nanocatalysts
journal, July 2007

Influence of Nonstoichiometry on Proton Conductivity in Thin-Film Yttrium-Doped Barium Zirconate
journal, January 2018

Nanostructured Nickel Phosphide as an Electrocatalyst for the Hydrogen Evolution Reaction
journal, June 2013

Zur Theorie der Wasserstoff Überspannung
journal, January 1930

Biomimetic Hydrogen Evolution: MoS ₂ Nanoparticles as Catalyst for Hydrogen Evolution
journal, April 2005

Active edge sites in MoSe ₂ and WSe ₂ catalysts for the hydrogen evolution reaction: a density functional study
journal, January 2014