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Title: Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies

Abstract

As a promising non-precious catalyst for the hydrogen evolution reaction, molybdenum disulphide (MoS2) is known to contain active edge sites and an inert basal plane. Activating the MoS2 basal plane could further enhance its HER activity but is not often a strategy for doing so. Herein, we report the first activation and optimization of the basal plane of monolayer 2H-MoS2 for HER by introducing sulphur (S) vacancies and strain. Our theoretical and experimental results show that the S-vacancies are new catalytic sites in the basal plane, where gap states around the Fermi level allow hydrogen to bind directly to exposed Mo atoms. The hydrogen adsorption free energy (ΔGH) can be further manipulated by straining the surface with S-vacancies, which fine-tunes the catalytic activity. Furthermore, proper combinations of S-vacancy and strain yield the optimal ΔGH = 0 eV, which allows us to achieve the highest intrinsic HER activity among molybdenum-sulphide-based catalysts.

Authors:
 [1]; ORCiD logo [2];  [1];  [1];  [3];  [3];  [1];  [1];  [3];  [4];  [2];  [1]
  1. Stanford Univ., Stanford, CA (United States)
  2. Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
  3. SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States)
  4. SLAC National Accelerator Lab., Menlo Park, CA (United States)
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center on Nanostructuring for Efficient Energy Conversion (CNEEC); SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1257223
Grant/Contract Number:  
AC02-76SF00515
Resource Type:
Accepted Manuscript
Journal Name:
Nature Materials
Additional Journal Information:
Journal Volume: 15; Journal Issue: 1; Journal ID: ISSN 1476-1122
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; chemical engineering; electrocatalysis; two-dimensional materials

Citation Formats

Li, Hong, Tsai, Charlie, Koh, Ai Leen, Cai, Lili, Contryman, Alex W., Fragapane, Alex H., Zhao, Jiheng, Han, Hyun Soon, Manoharan, Hari C., Abild-Pedersen, Frank, Nørskov, Jens K., and Zheng, Xiaolin. Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies. United States: N. p., 2015. Web. doi:10.1038/NMAT4465.
Li, Hong, Tsai, Charlie, Koh, Ai Leen, Cai, Lili, Contryman, Alex W., Fragapane, Alex H., Zhao, Jiheng, Han, Hyun Soon, Manoharan, Hari C., Abild-Pedersen, Frank, Nørskov, Jens K., & Zheng, Xiaolin. Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies. United States. https://doi.org/10.1038/NMAT4465
Li, Hong, Tsai, Charlie, Koh, Ai Leen, Cai, Lili, Contryman, Alex W., Fragapane, Alex H., Zhao, Jiheng, Han, Hyun Soon, Manoharan, Hari C., Abild-Pedersen, Frank, Nørskov, Jens K., and Zheng, Xiaolin. Mon . "Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies". United States. https://doi.org/10.1038/NMAT4465. https://www.osti.gov/servlets/purl/1257223.
@article{osti_1257223,
title = {Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies},
author = {Li, Hong and Tsai, Charlie and Koh, Ai Leen and Cai, Lili and Contryman, Alex W. and Fragapane, Alex H. and Zhao, Jiheng and Han, Hyun Soon and Manoharan, Hari C. and Abild-Pedersen, Frank and Nørskov, Jens K. and Zheng, Xiaolin},
abstractNote = {As a promising non-precious catalyst for the hydrogen evolution reaction, molybdenum disulphide (MoS2) is known to contain active edge sites and an inert basal plane. Activating the MoS2 basal plane could further enhance its HER activity but is not often a strategy for doing so. Herein, we report the first activation and optimization of the basal plane of monolayer 2H-MoS2 for HER by introducing sulphur (S) vacancies and strain. Our theoretical and experimental results show that the S-vacancies are new catalytic sites in the basal plane, where gap states around the Fermi level allow hydrogen to bind directly to exposed Mo atoms. The hydrogen adsorption free energy (ΔGH) can be further manipulated by straining the surface with S-vacancies, which fine-tunes the catalytic activity. Furthermore, proper combinations of S-vacancy and strain yield the optimal ΔGH = 0 eV, which allows us to achieve the highest intrinsic HER activity among molybdenum-sulphide-based catalysts.},
doi = {10.1038/NMAT4465},
journal = {Nature Materials},
number = 1,
volume = 15,
place = {United States},
year = {2015},
month = {11}
}

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Two-dimensional materials as catalysts for solar fuels: hydrogen evolution reaction and CO 2 reduction
journal, January 2019

  • Hasani, Amirhossein; Tekalgne, Mahider; Le, Quyet Van
  • Journal of Materials Chemistry A, Vol. 7, Issue 2
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Atomic (single, double, and triple atoms) catalysis: frontiers, opportunities, and challenges
journal, January 2019

  • Chen, Z. W.; Chen, L. X.; Yang, C. C.
  • Journal of Materials Chemistry A, Vol. 7, Issue 8
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A computational study on Pt and Ru dimers supported on graphene for the hydrogen evolution reaction: new insight into the alkaline mechanism
journal, January 2019

  • Liu, Xin; Jiao, Yan; Zheng, Yao
  • Journal of Materials Chemistry A, Vol. 7, Issue 8
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Metal boride better than Pt: HCP Pd 2 B as a superactive hydrogen evolution reaction catalyst
journal, January 2019

  • Chen, Lin; Zhang, Ling-Ran; Yao, Ling-Yan
  • Energy & Environmental Science, Vol. 12, Issue 10
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Recent progress of TMD nanomaterials: phase transitions and applications
journal, January 2020

  • Huang, H. H.; Fan, Xiaofeng; Singh, David J.
  • Nanoscale, Vol. 12, Issue 3
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Active site manipulation in MoS 2 cluster electrocatalysts by transition metal doping
journal, January 2020

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  • Nanoscale, Vol. 12, Issue 7
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Toward heterostructured transition metal hybrids with highly promoted electrochemical hydrogen evolution
journal, January 2019

  • Gao, Guanhui; Xie, Xiaobin; Kang, Shendong
  • RSC Advances, Vol. 9, Issue 35
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NO reduction over an Al-embedded MoS 2 monolayer: a first-principles study
journal, January 2019

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  • RSC Advances, Vol. 9, Issue 67
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Strain engineering in functional 2-dimensional materials
journal, February 2019

  • Sun, Yufei; Liu, Kai
  • Journal of Applied Physics, Vol. 125, Issue 8
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The development of 2D materials for electrochemical energy applications: A mechanistic approach
journal, March 2019

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  • APL Materials, Vol. 7, Issue 3
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Forces and electronic transport in a contact formed by a graphene tip and a defective MoS 2 monolayer: a theoretical study
journal, April 2018


Synergetic photocatalytic effect between 1 T@2H-MoS 2 and plasmon resonance induced by Ag quantum dots
journal, May 2018


Strain-Enhanced p Doping in Monolayer MoS 2
journal, February 2018


Substrate screening effects on the quasiparticle band gap and defect charge transition levels in MoS 2
journal, August 2018


Key role of antibonding electron transfer in bonding on solid surfaces
journal, September 2019


Combining theory and experiment in electrocatalysis: Insights into materials design
journal, January 2017


Synthesis of Z-scheme Mn-CdS/MoS 2 /TiO 2 ternary photocatalysts for high-efficiency sunlight-driven photocatalysis
journal, January 2019


Earth-Abundant Electrocatalysts in Proton Exchange Membrane Electrolyzers
journal, December 2018

  • Sun, Xinwei; Xu, Kaiqi; Fleischer, Christian
  • Catalysts, Vol. 8, Issue 12
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Self-Assembled Monolayers of Molybdenum Sulfide Clusters on Au Electrode as Hydrogen Evolution Catalyst for Solar Water Splitting
journal, June 2019


Sensing behavior of flower-shaped MoS 2 nanoflakes: case study with methanol and xylene
journal, January 2018

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  • Beilstein Journal of Nanotechnology, Vol. 9
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MoS x @NiO Composite Nanostructures: An Advanced Nonprecious Catalyst for Hydrogen Evolution Reaction in Alkaline Media
journal, January 2019

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  • Advanced Functional Materials, Vol. 29, Issue 7
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Synergistic Phase and Disorder Engineering in 1T-MoSe 2 Nanosheets for Enhanced Hydrogen-Evolution Reaction
journal, May 2017


Discovery of Superconductivity in 2M WS 2 with Possible Topological Surface States
journal, June 2019


Colloidal Synthesis of Mo-Ni Alloy Nanoparticles as Bifunctional Electrocatalysts for Efficient Overall Water Splitting
journal, May 2018

  • Zhang, Taotao; Liu, Xiaowang; Cui, Xin
  • Advanced Materials Interfaces, Vol. 5, Issue 13
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Transition Metal-Doped Edge-Terminated MoS 2 Superstructures as Efficient Catalysts for H 2 Production
journal, October 2018

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Recent Progress on Layered Double Hydroxides and Their Derivatives for Electrocatalytic Water Splitting
journal, May 2018


Reversing Interfacial Catalysis of Ambipolar WSe 2 Single Crystal
journal, December 2019


Rational Control of the Selectivity of a Ruthenium Catalyst for Hydrogenation of 4-Nitrostyrene by Strain Regulation
journal, August 2017


Intercalated Iridium Diselenide Electrocatalysts for Efficient pH‐Universal Water Splitting
journal, September 2019

  • Zheng, Tingting; Shang, Chunyan; He, Zhihai
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High‐Resolution Electrochemical Mapping of the Hydrogen Evolution Reaction on Transition‐Metal Dichalcogenide Nanosheets
journal, January 2020

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  • Angewandte Chemie International Edition, Vol. 59, Issue 9
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Ultrafine Ruthenium Oxide Nanoparticles Supported on Molybdenum Oxide Nanosheets as Highly Efficient Electrocatalyst for Hydrogen Evolution in Acidic Medium
journal, February 2019

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The Holy Grail in Platinum‐Free Electrocatalytic Hydrogen Evolution: Molybdenum‐Based Catalysts and Recent Advances
journal, June 2019


Effects of Precursor Concentration on Dimensional Size, Defect State, and Gas Sensing Performance of MoS 2 Sheets Synthesized by Hydrothermal Method
journal, July 2018

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Synergetic Exfoliation and Lateral Size Engineering of MoS 2 for Enhanced Photocatalytic Hydrogen Generation
journal, March 2018


Edge-Terminated MoS 2 Nanoassembled Electrocatalyst via In Situ Hybridization with 3D Carbon Network
journal, August 2018


Conductive Molybdenum Sulfide for Efficient Electrocatalytic Hydrogen Evolution
journal, October 2018


Unveiling the Interfacial Effects for Enhanced Hydrogen Evolution Reaction on MoS 2 /WTe 2 Hybrid Structures
journal, April 2019


Superior Hydrogen Evolution Reaction Performance in 2H‐MoS 2 to that of 1T Phase
journal, June 2019


Rational Design of Transition Metal-Based Materials for Highly Efficient Electrocatalysis
journal, September 2018


Earth Abundant Electrocatalyst
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State-of-the-Art Advances and Perspectives for Electrocatalysis
book, January 2020

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Defect engineering of molybdenum disulfide through ion irradiation to boost hydrogen evolution reaction performance
journal, April 2019


Efficient Mechanochemical Preparation of Graphene-Like Molybdenum Disulfide and Graphene-Based Composite Electrocatalysts for Hydrogen Evolution Reaction
journal, April 2019

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Engineering surface atomic structure of single-crystal cobalt (II) oxide nanorods for superior electrocatalysis
journal, September 2016

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  • Nature Communications, Vol. 7, Issue 1
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Erratum: Corrigendum: Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies
journal, February 2016

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  • Nature Materials, Vol. 15, Issue 3
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Degradation behaviors and mechanisms of MoS2 crystals relevant to bioabsorbable electronics
journal, August 2018


Defect-enriched iron fluoride-oxide nanoporous thin films bifunctional catalyst for water splitting
journal, May 2018


Boundary activated hydrogen evolution reaction on monolayer MoS2
journal, March 2019


Ultrahigh-current-density niobium disulfide catalysts for hydrogen evolution
journal, August 2019


Lithiation-induced amorphization of Pd3P2S8 for highly efficient hydrogen evolution
journal, May 2018


Atomic-layer soft plasma etching of MoS2
journal, January 2016

  • Xiao, Shaoqing; Xiao, Peng; Zhang, Xuecheng
  • Scientific Reports, Vol. 6, Issue 1
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Metal-free carbonaceous electrocatalysts and photocatalysts for water splitting
journal, January 2016

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Group 6 transition metal dichalcogenide nanomaterials: synthesis, applications and future perspectives
journal, January 2018

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Preferential horizontal growth of tungsten sulfide on carbon and insight into active sulfur sites for the hydrogen evolution reaction
journal, January 2018

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Magnetism in monolayer 1T-MoS 2 and 1T-MoS 2 H tuned by strain
journal, January 2018


Three electron channels toward two types of active sites in MoS 2 @Pt nanosheets for hydrogen evolution
journal, January 2017

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Non-equilibrium fractal growth of MoS 2 for electrocatalytic hydrogen evolution
journal, January 2019

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Repairing single and double atomic vacancies in a C 3 N monolayer with CO or NO molecules: a first-principles study
journal, January 2018

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Electronic-dimensionality reduction of bulk MoS 2 by hydrogen treatment
journal, January 2018

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Rapid flame doping of Co to WS 2 for efficient hydrogen evolution
journal, January 2018

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  • Energy & Environmental Science, Vol. 11, Issue 8
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Enhancing the activity of oxygen-evolution and chlorine-evolution electrocatalysts by atomic layer deposition of TiO 2
journal, January 2019

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Nanoscale mapping of hydrogen evolution on metallic and semiconducting MoS 2 nanosheets
journal, January 2019

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Highly active single-layer MoS 2 catalysts synthesized by swift heavy ion irradiation
journal, January 2018

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Influence of the support on stabilizing local defects in strained monolayer oxide films
journal, January 2019

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Ultralong needle-like N-doped Co(OH)F on carbon fiber paper with abundant oxygen vacancies as an efficient oxygen evolution reaction catalyst
journal, January 2018

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  • Materials Chemistry Frontiers, Vol. 2, Issue 11
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Carbon nanotube-induced phase and stability engineering: a strained cobalt-doped WSe 2 /MWNT heterostructure for enhanced hydrogen evolution reaction
journal, January 2018

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  • Journal of Materials Chemistry A, Vol. 6, Issue 11
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A metallic MoS 2 nanosheet array on graphene-protected Ni foam as a highly efficient electrocatalytic hydrogen evolution cathode
journal, January 2018

  • Zhu, Peng; Chen, Yu; Zhou, Yu
  • Journal of Materials Chemistry A, Vol. 6, Issue 34
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Proposal of a stable B 3 S nanosheet as an efficient hydrogen evolution catalyst
journal, January 2019

  • Wu, Hong; Li, Xingxing; Zhang, Ruiqi
  • Journal of Materials Chemistry A, Vol. 7, Issue 8
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Hydrogen interaction with a sulfur-vacancy-induced occupied defect state in the electronic band structure of MoS 2
journal, January 2019

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  • Physical Chemistry Chemical Physics, Vol. 21, Issue 28
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Understanding electro-catalysis by using density functional theory
journal, January 2019

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Surface intercalated spherical MoS 2x Se 2(1−x) nanocatalysts for highly efficient and durable hydrogen evolution reactions
journal, January 2019

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N-Doped amorphous MoS x for the hydrogen evolution reaction
journal, January 2019

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Spontaneous full photocatalytic water splitting on 2D MoSe 2 /SnSe 2 and WSe 2 /SnSe 2 vdW heterostructures
journal, January 2019

  • Fan, Yingcai; Wang, Junru; Zhao, Mingwen
  • Nanoscale, Vol. 11, Issue 31
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Boosting the electrocatalytic activity of amorphous molybdenum sulfide nanoflakes via nickel sulfide decoration
journal, January 2019

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  • Nanoscale, Vol. 11, Issue 47
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Defect-mediated selective hydrogenation of nitroarenes on nanostructured WS 2
journal, January 2019

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  • Chemical Science, Vol. 10, Issue 44
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An advanced and highly efficient Ce assisted NiFe-LDH electrocatalyst for overall water splitting
journal, January 2020

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  • Sustainable Energy & Fuels, Vol. 4, Issue 1
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Stringing MOF-derived nanocages: a strategy for the enhanced oxygen evolution reaction
journal, January 2019

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  • Journal of Materials Chemistry A, Vol. 7, Issue 14
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Building a lateral/vertical 1T-2H MoS 2 /Au heterostructure for enhanced photoelectrocatalysis and surface enhanced Raman scattering
journal, January 2019

  • Zheng, Xiaoli; Guo, Zhihua; Zhang, Guoyuan
  • Journal of Materials Chemistry A, Vol. 7, Issue 34
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A Co–Mo 2 N composite on a nitrogen-doped carbon matrix with hydrogen evolution activity comparable to that of Pt/C in alkaline media
journal, January 2019

  • Lang, Xuewei; Qadeer, Muhammad Abdul; Shen, Guoqiang
  • Journal of Materials Chemistry A, Vol. 7, Issue 36
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Activating MoS 2 basal planes for hydrogen evolution through direct CVD morphology control
journal, January 2019

  • Dong, Lianqing; Guo, Shaoqiang; Wang, Yuyan
  • Journal of Materials Chemistry A, Vol. 7, Issue 48
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Engineering two-dimensional metal oxides via surface functionalization for biological applications
journal, January 2020

  • Ren, Baiyu; Wang, Yichao; Ou, Jian Zhen
  • Journal of Materials Chemistry B, Vol. 8, Issue 6
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Achieving half-metallicity in zigzag MoS 2 nanoribbon with a sulfur vacancy by edge passivation
journal, June 2018

  • Zhou, X. Y.; Wang, R.; Meng, L. J.
  • Journal of Physics D: Applied Physics, Vol. 51, Issue 26
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Lateral heterostructures and one-dimensional interfaces in 2D transition metal dichalcogenides
journal, March 2019

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Two-Dimensional Material Molybdenum Disulfides as Electrocatalysts for Hydrogen Evolution
journal, September 2017


Promoting Active Sites in Core-Shell Nanowire Array as Mott-Schottky Electrocatalysts for Efficient and Stable Overall Water Splitting
journal, November 2017

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  • Advanced Functional Materials, Vol. 28, Issue 4
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Unveiling Active Sites for the Hydrogen Evolution Reaction on Monolayer MoS 2
journal, September 2017


Vertical 1T-TaS 2 Synthesis on Nanoporous Gold for High-Performance Electrocatalytic Applications
journal, March 2018

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  • Advanced Materials, Vol. 30, Issue 15
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Vacancy in Ultrathin 2D Nanomaterials toward Sustainable Energy Application
journal, November 2019

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  • Advanced Energy Materials, Vol. 10, Issue 11
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Activating Inert Metallic Compounds for High‐Rate Lithium–Sulfur Batteries Through In Situ Etching of Extrinsic Metal
journal, March 2019

  • Zhao, Meng; Peng, Hong‐Jie; Zhang, Ze‐Wen
  • Angewandte Chemie International Edition, Vol. 58, Issue 12
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Unveiling Electrochemical Reaction Pathways of CO 2 Reduction to C N Species at S‐Vacancies of MoS 2
journal, May 2019


Ultrathin Two-Dimensional Nanostructured Materials for Highly Efficient Water Oxidation
journal, June 2017


Overall electrochemical splitting of water at the heterogeneous interface of nickel and iron oxide
journal, December 2019


In-plane interfacing effects of two-dimensional transition-metal dichalcogenide heterostructures
journal, January 2016

  • Wei, Wei; Dai, Ying; Huang, Baibiao
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 23
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Nanostructured catalysts for electrochemical water splitting: current state and prospects
journal, January 2016

  • Li, Xiumin; Hao, Xiaogang; Abudula, Abuliti
  • Journal of Materials Chemistry A, Vol. 4, Issue 31
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An experimental and theoretical study of an efficient polymer nano-photocatalyst for hydrogen evolution
journal, January 2017

  • Pati, Palas Baran; Damas, Giane; Tian, Lei
  • Energy & Environmental Science, Vol. 10, Issue 6
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MoS 2 /TiO 2 heterostructures as nonmetal plasmonic photocatalysts for highly efficient hydrogen evolution
journal, January 2018

  • Guo, L.; Yang, Z.; Marcus, K.
  • Energy & Environmental Science, Vol. 11, Issue 1
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Enhancing the electrocatalytic activity of 2H-WS 2 for hydrogen evolution via defect engineering
journal, January 2019

  • Wu, Longfei; van Hoof, Arno J. F.; Dzade, Nelson Y.
  • Physical Chemistry Chemical Physics, Vol. 21, Issue 11
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Wafer-recyclable, environment-friendly transfer printing for large-scale thin-film nanoelectronics
journal, July 2018

  • Wie, Dae Seung; Zhang, Yue; Kim, Min Ku
  • Proceedings of the National Academy of Sciences, Vol. 115, Issue 31
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Electronic structure and the hydrogen evolution reaction in layered ReS 2 regulated by alkali-metal atom intercalation
journal, February 2019

  • Zhou, Gan; Xiong, Tao; Shan, Yun
  • Journal of Physics D: Applied Physics, Vol. 52, Issue 16
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Atmospheric Air Plasma Treated SnS Films: An Efficient Electrocatalyst for HER
journal, October 2018

  • Huang, Po-Chia; Brahma, Sanjaya; Liu, Po-Yen
  • Catalysts, Vol. 8, Issue 10
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A Type of 1 nm Molybdenum Carbide Confined within Carbon Nanomesh as Highly Efficient Bifunctional Electrocatalyst
journal, January 2018

  • Cheng, Zhihua; Fu, Qiang; Han, Qing
  • Advanced Functional Materials, Vol. 28, Issue 18
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Ultrathin Two‐Dimensional Multinary Layered Metal Chalcogenide Nanomaterials
journal, July 2017

  • Tan, Chaoliang; Lai, Zhuangchai; Zhang, Hua
  • Advanced Materials, Vol. 29, Issue 37
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Nitrogen-Doped CoP Electrocatalysts for Coupled Hydrogen Evolution and Sulfur Generation with Low Energy Consumption
journal, May 2018


Enhancing Electrocatalytic Water Splitting by Strain Engineering
journal, February 2019


Air and Water-Stable n-Type Doping and Encapsulation of Flexible MoS 2 Devices with SU8
journal, November 2018

  • Kung, Yen-Cheng; Hosseini, Nahid; Dumcenco, Dumitru
  • Advanced Electronic Materials, Vol. 5, Issue 1
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Probing the Electronic Properties of Monolayer MoS 2 via Interaction with Molecular Hydrogen
journal, December 2018

  • Rezende, Natália P.; Cadore, Alisson R.; Gadelha, Andreij C.
  • Advanced Electronic Materials, Vol. 5, Issue 2
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Local Charge Distribution Engineered by Schottky Heterojunctions toward Urea Electrolysis
journal, August 2018

  • Li, Caicai; Liu, Youwen; Zhuo, Zhiwen
  • Advanced Energy Materials, Vol. 8, Issue 27
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Intercalated Iridium Diselenide Electrocatalysts for Efficient pH‐Universal Water Splitting
journal, October 2019

  • Zheng, Tingting; Shang, Chunyan; He, Zhihai
  • Angewandte Chemie International Edition, Vol. 58, Issue 41
  • DOI: 10.1002/anie.201909369

2 D Materials for Inhibiting the Shuttle Effect in Advanced Lithium–Sulfur Batteries
journal, March 2020


Enhanced Gas Sensing Performance of Surface‐Activated MoS 2 Nanosheets Made by Hydrothermal Method with Excess Sulfur Precursor
journal, April 2019

  • Lee, Chang Min; Jin, Chan Ho; Ahn, Cheol Hyoun
  • physica status solidi (a), Vol. 216, Issue 9
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Metallic MoS 2 for High Performance Energy Storage and Energy Conversion
journal, July 2018


Aligned Heterointerface-Induced 1T-MoS 2 Monolayer with Near-Ideal Gibbs Free for Stable Hydrogen Evolution Reaction
journal, January 2019


Multiscale structural and electronic control of molybdenum disulfide foam for highly efficient hydrogen production
journal, April 2017

  • Deng, Jiao; Li, Haobo; Wang, Suheng
  • Nature Communications, Vol. 8, Issue 1
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The role of electronic coupling between substrate and 2D MoS2 nanosheets in electrocatalytic production of hydrogen
journal, June 2016

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  • Nature Materials, Vol. 15, Issue 9
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The rapid electrochemical activation of MoTe2 for the hydrogen evolution reaction
journal, October 2019


Polymorphic cobalt diselenide as extremely stable electrocatalyst in acidic media via a phase-mixing strategy
journal, November 2019


Engineering grain boundaries at the 2D limit for the hydrogen evolution reaction
journal, January 2020


Spontaneous doping of the basal plane of MoS2 single layers through oxygen substitution under ambient conditions
journal, September 2018


Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors
journal, November 2019


Vacancies in functional materials for clean energy storage and harvesting: the perfect imperfection
journal, January 2017

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  • Chemical Society Reviews, Vol. 46, Issue 6
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Design, synthesis, and energy-related applications of metal sulfides
journal, January 2016

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p-Type transition-metal doping of large-area MoS 2 thin films grown by chemical vapor deposition
journal, January 2017


Electrocatalysis of polysulfide conversion by sulfur-deficient MoS 2 nanoflakes for lithium–sulfur batteries
journal, January 2017

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Highly active two dimensional α-MoO 3−x for the electrocatalytic hydrogen evolution reaction
journal, January 2017

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  • Journal of Materials Chemistry A, Vol. 5, Issue 46
  • DOI: 10.1039/c7ta07705j

Molybdenum sulfide clusters immobilized on defective graphene: a stable catalyst for the hydrogen evolution reaction
journal, January 2018

  • Ouyang, Yixin; Li, Qiang; Shi, Li
  • Journal of Materials Chemistry A, Vol. 6, Issue 5
  • DOI: 10.1039/c7ta09828f

Oxygen incorporated WS 2 nanoclusters with superior electrocatalytic properties for hydrogen evolution reaction
journal, January 2018

  • Sarma, Prasad V.; Tiwary, Chandra Sekhar; Radhakrishnan, Sruthi
  • Nanoscale, Vol. 10, Issue 20
  • DOI: 10.1039/c8nr00253c

Nitrogen-rich 1T′-MoS 2 layered nanostructures using alkyl amines for high catalytic performance toward hydrogen evolution
journal, January 2018

  • Kwak, In Hye; Kwon, Ik Seon; Abbas, Hafiz Ghulam
  • Nanoscale, Vol. 10, Issue 30
  • DOI: 10.1039/c8nr03661f

Electrochemical activity of 1T′ structured rhenium selenide nanosheets via electronic structural modulation from selenium-vacancy generation
journal, January 2018

  • Sun, Yuan; Meng, Jie; Ju, Huanxin
  • Journal of Materials Chemistry A, Vol. 6, Issue 45
  • DOI: 10.1039/c8ta06889e

Facile microwave assisted synthesis of vastly edge exposed 1T/2H-MoS 2 with enhanced activity for hydrogen evolution catalysis
journal, January 2019

  • Lee, Young Bum; Kim, Seong K.; Ji, Seulgi
  • Journal of Materials Chemistry A, Vol. 7, Issue 8
  • DOI: 10.1039/c8ta12080c

Anionic defect engineering of transition metal oxides for oxygen reduction and evolution reactions
journal, January 2019

  • Zhu, Yunmin; Liu, Xi; Jin, Shiguang
  • Journal of Materials Chemistry A, Vol. 7, Issue 11
  • DOI: 10.1039/c8ta12477a

Optimizing the surface state of cobalt-iron bimetallic phosphide via regulating phosphorus vacancies
journal, January 2020

  • Li, Shuang; Geng, Zhibin; Wang, Xiyang
  • Chemical Communications, Vol. 56, Issue 17
  • DOI: 10.1039/c9cc09741d

Probing the active sites of newly predicted stable Janus scandium dichalcogenides for photocatalytic water-splitting
journal, January 2019

  • Yang, Xiaoyong; Banerjee, Amitava; Ahuja, Rajeev
  • Catalysis Science & Technology, Vol. 9, Issue 18
  • DOI: 10.1039/c9cy01014a

Unique interfacial thermodynamics of few-layer 2D MoS 2 for (photo)electrochemical catalysis
journal, January 2019

  • Carroll, Gerard Michael; Zhang, Hanyu; Dunklin, Jeremy R.
  • Energy & Environmental Science, Vol. 12, Issue 5
  • DOI: 10.1039/c9ee00513g

Temperature-regulated reversible transformation of spinel-to-oxyhydroxide active species for electrocatalytic water oxidation
journal, January 2020

  • Zhou, Tingli; Wang, Changhong; Shi, Yanmei
  • Journal of Materials Chemistry A, Vol. 8, Issue 4
  • DOI: 10.1039/c9ta12200a

Defect-engineered MoS 2 with extended photoluminescence lifetime for high-performance hydrogen evolution
journal, January 2019

  • Kang, Sangmin; Koo, Ja-Jung; Seo, Hongmin
  • Journal of Materials Chemistry C, Vol. 7, Issue 33
  • DOI: 10.1039/c9tc02256b

Hydrogen interaction with selectively desulfurized MoS 2 surface using Ne + sputtering
journal, February 2019

  • Han, Sang Wook; Cha, Gi-Beom; Kang, Manil
  • Journal of Applied Physics, Vol. 125, Issue 8
  • DOI: 10.1063/1.5079281

Single-layer 1 T ′-MoS 2 under electron irradiation from ab initio molecular dynamics
journal, March 2018


Large Spin-Orbit Splitting of Deep In-Gap Defect States of Engineered Sulfur Vacancies in Monolayer WS 2
journal, August 2019


Weyl Semimetals as Hydrogen Evolution Catalysts
journal, March 2017

  • Rajamathi, Catherine R.; Gupta, Uttam; Kumar, Nitesh
  • Advanced Materials, Vol. 29, Issue 19
  • DOI: 10.1002/adma.201606202

Preparation of High-Percentage 1T-Phase Transition Metal Dichalcogenide Nanodots for Electrochemical Hydrogen Evolution
journal, January 2018

  • Tan, Chaoliang; Luo, Zhimin; Chaturvedi, Apoorva
  • Advanced Materials, Vol. 30, Issue 9
  • DOI: 10.1002/adma.201705509

The Atomic Circus: Small Electron Beams Spotlight Advanced Materials Down to the Atomic Scale
journal, October 2018


Morphology‐Controlled Metal Sulfides and Phosphides for Electrochemical Water Splitting
journal, February 2019

  • Joo, Jinwhan; Kim, Taekyung; Lee, Jaeyoung
  • Advanced Materials, Vol. 31, Issue 14
  • DOI: 10.1002/adma.201806682

Metallic Twin Boundaries Boost the Hydrogen Evolution Reaction on the Basal Plane of Molybdenum Selenotellurides
journal, April 2018

  • Kosmala, Tomasz; Coy Diaz, Horacio; Komsa, Hannu-Pekka
  • Advanced Energy Materials, Vol. 8, Issue 20
  • DOI: 10.1002/aenm.201800031

Electrochemical generation of sulfur vacancies in the basal plane of MoS2 for hydrogen evolution
journal, April 2017

  • Tsai, Charlie; Li, Hong; Park, Sangwook
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms15113

Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides
journal, July 2019


Balancing hydrogen adsorption/desorption by orbital modulation for efficient hydrogen evolution catalysis
journal, September 2019


Molybdenum disulfide and Au ultrasmall nanohybrids as highly active electrocatalysts for hydrogen evolution reaction
journal, January 2017

  • Zhang, Jinxuan; Wang, Tanyuan; Liu, Lu
  • Journal of Materials Chemistry A, Vol. 5, Issue 8
  • DOI: 10.1039/c6ta10385e

Atomic layer deposited molybdenum disulfide on Si photocathodes for highly efficient photoelectrochemical water reduction reaction
journal, January 2017

  • Oh, Seungtaeg; Kim, Jun Beom; Song, Jun Tae
  • Journal of Materials Chemistry A, Vol. 5, Issue 7
  • DOI: 10.1039/c6ta10707a

Phosphorus-Mo 2 C@carbon nanowires toward efficient electrochemical hydrogen evolution: composition, structural and electronic regulation
journal, January 2017

  • Shi, Zhangping; Nie, Kaiqi; Shao, Zheng-Jiang
  • Energy & Environmental Science, Vol. 10, Issue 5
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Hydrogen evolution electrocatalysis with binary-nonmetal transition metal compounds
journal, January 2017

  • Hu, Jue; Zhang, Chengxu; Meng, Xiangyue
  • Journal of Materials Chemistry A, Vol. 5, Issue 13
  • DOI: 10.1039/c7ta00743d

Pulsed laser deposition of single-layer MoS 2 on Au(111): from nanosized crystals to large-area films
journal, January 2019

  • Tumino, Francesco; Casari, Carlo S.; Passoni, Matteo
  • Nanoscale Advances, Vol. 1, Issue 2
  • DOI: 10.1039/c8na00126j

Sulfur-doped graphene/transition metal dichalcogenide heterostructured hybrids with electrocatalytic activity toward the hydrogen evolution reaction
journal, January 2019

  • Kagkoura, Antonia; Pelaez-Fernandez, Mario; Arenal, Raul
  • Nanoscale Advances, Vol. 1, Issue 4
  • DOI: 10.1039/c8na00130h

Synergistic modulation in MX 2 (where M = Mo or W or V, and X = S or Se) for an enhanced hydrogen evolution reaction
journal, January 2018

  • Wang, Ran; Han, Jiecai; Zhang, Xinghong
  • Journal of Materials Chemistry A, Vol. 6, Issue 44
  • DOI: 10.1039/c8ta05912h

Arising synergetic and antagonistic effects in the design of Ni- and Ru-based water splitting electrocatalysts
journal, January 2019

  • Marques Mota, Filipe; Choi, Chi Hun; Boppella, Ramireddy
  • Journal of Materials Chemistry A, Vol. 7, Issue 2
  • DOI: 10.1039/c8ta08535h

Mechanical instability driven self-assembly and architecturing of 2D materials
journal, March 2017


Direct and continuous strain control of catalysts with tunable battery electrode materials
journal, November 2016


Surface Modulation of Hierarchical MoS 2 Nanosheets by Ni Single Atoms for Enhanced Electrocatalytic Hydrogen Evolution
journal, October 2018

  • Zhang, Huabin; Yu, Le; Chen, Tao
  • Advanced Functional Materials, Vol. 28, Issue 51
  • DOI: 10.1002/adfm.201807086

Nanoscale Selective Passivation of Electrodes Contacting a 2D Semiconductor
journal, December 2019

  • Lihter, Martina; Graf, Michael; Iveković, Damir
  • Advanced Functional Materials, Vol. 30, Issue 6
  • DOI: 10.1002/adfm.201907860

Superior Chemical Sensing Performance of Black Phosphorus: Comparison with MoS 2 and Graphene
journal, June 2016

  • Cho, Soo-Yeon; Lee, Youhan; Koh, Hyeong-Jun
  • Advanced Materials, Vol. 28, Issue 32
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Rhenium-Doped and Stabilized MoS 2 Atomic Layers with Basal-Plane Catalytic Activity
journal, October 2018

  • Yang, Shi-Ze; Gong, Yongji; Manchanda, Priyanka
  • Advanced Materials, Vol. 30, Issue 51
  • DOI: 10.1002/adma.201803477

Engineering MoS 2 Basal Planes for Hydrogen Evolution via Synergistic Ruthenium Doping and Nanocarbon Hybridization
journal, March 2019


Negative Charging of Transition‐Metal Phosphides via Strong Electronic Coupling for Destabilization of Alkaline Water
journal, July 2019


MoS 2 Quantum Dots@TiO 2 Nanotube Arrays: An Extended-Spectrum-Driven Photocatalyst for Solar Hydrogen Evolution
journal, May 2018


High-Sulfur-Vacancy Amorphous Molybdenum Sulfide as a High Current Electrocatalyst in Hydrogen Evolution
journal, August 2016


Emerging 0D Transition-Metal Dichalcogenides for Sensors, Biomedicine, and Clean Energy
journal, June 2017


Structure design of CeO2–MoS2 composites and their efficient activity for imine synthesis
journal, July 2019


Coordination polymer structure and revisited hydrogen evolution catalytic mechanism for amorphous molybdenum sulfide
journal, March 2016

  • Tran, Phong D.; Tran, Thu V.; Orio, Maylis
  • Nature Materials, Vol. 15, Issue 6
  • DOI: 10.1038/nmat4588

Low-dimensional catalysts for hydrogen evolution and CO2 reduction
journal, January 2018

  • Voiry, Damien; Shin, Hyeon Suk; Loh, Kian Ping
  • Nature Reviews Chemistry, Vol. 2, Issue 1
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Salt-template-assisted synthesis of robust 3D honeycomb-like structured MoS 2 and its application as a lithium-ion battery anode
journal, January 2016

  • Zhou, Jingwen; Qin, Jian; Zhao, Naiqin
  • Journal of Materials Chemistry A, Vol. 4, Issue 22
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A vacancy-driven phase transition in MoX 2 (X: S, Se and Te) nanoscrolls
journal, January 2018

  • Hwang, Da Young; Choi, Kyoung Hwan; Suh, Dong Hack
  • Nanoscale, Vol. 10, Issue 17
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Molybdenum diboride nanoparticles as a highly efficient electrocatalyst for the hydrogen evolution reaction
journal, January 2017

  • Jothi, Palani R.; Zhang, Yuemei; Scheifers, Jan P.
  • Sustainable Energy & Fuels, Vol. 1, Issue 9
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Mutually beneficial Co 3 O 4 @MoS 2 heterostructures as a highly efficient bifunctional catalyst for electrochemical overall water splitting
journal, January 2018

  • Liu, Jia; Wang, Jinsong; Zhang, Bao
  • Journal of Materials Chemistry A, Vol. 6, Issue 5
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Intercalation of aromatic amine for the 2H–1T′ phase transition of MoS 2 by experiments and calculations
journal, January 2018

  • Kwon, Ik Seon; Kwak, In Hye; Abbas, Hafiz Ghulam
  • Nanoscale, Vol. 10, Issue 24
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Molybdenum carbide nanoparticle decorated hierarchical tubular carbon superstructures with vertical nanosheet arrays for efficient hydrogen evolution
journal, January 2018

  • Xu, Zhixiao; Zhang, Guangfeng; Lu, Chenbao
  • Journal of Materials Chemistry A, Vol. 6, Issue 39
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Transition metal modification and carbon vacancy promoted Cr 2 CO 2 (MXenes): a new opportunity for a highly active catalyst for the hydrogen evolution reaction
journal, January 2018

  • Cheng, Yu-Wen; Dai, Jian-Hong; Zhang, Yu-Min
  • Journal of Materials Chemistry A, Vol. 6, Issue 42
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Intercalated complexes of 1T′-MoS 2 nanosheets with alkylated phenylenediamines as excellent catalysts for electrochemical hydrogen evolution
journal, January 2019

  • Kwak, In Hye; Kwon, Ik Seon; Abbas, Hafiz Ghulam
  • Journal of Materials Chemistry A, Vol. 7, Issue 5
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Vacancy-engineered catalysts for water electrolysis
journal, January 2020

  • Choi, Songa; Park, Yeji; Yang, Heesu
  • CrystEngComm, Vol. 22, Issue 9
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Strain and defect engineered monolayer Ni-MoS 2 for pH-universal hydrogen evolution catalysis
journal, January 2019

  • Liang, Dan; Zhang, Yong-Wei; Lu, Pengfei
  • Nanoscale, Vol. 11, Issue 39
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Activated basal planes of WS 2 by intrinsic defects as catalysts for the electrocatalytic nitrogen reduction reaction
journal, January 2019

  • Yao, Xue; Chen, Zhiwen; Wang, Yaru
  • Journal of Materials Chemistry A, Vol. 7, Issue 45
  • DOI: 10.1039/c9ta10050d

Mo 2 C/graphene heterostructures: low temperature chemical vapor deposition on liquid bimetallic Sn–Cu and hydrogen evolution reaction electrocatalytic properties
journal, January 2019

  • Chaitoglou, Stefanos; Giannakopoulou, Tatiana; Speliotis, Thanassis
  • Nanotechnology, Vol. 30, Issue 12
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Size-dependent optical properties of MoS 2 nanoparticles and their photo-catalytic applications
journal, January 2020

  • Bhattacharya, Didhiti; Mukherjee, Subhrajit; Mitra, Rajib Kumar
  • Nanotechnology, Vol. 31, Issue 14
  • DOI: 10.1088/1361-6528/ab61ce