Mechanism of Hydrogen Evolution Reaction on 1T-MoS2 from First Principles

Tang, Qing; Jiang, De-en

doi:10.1021/acscatal.6b01211

Title: Mechanism of Hydrogen Evolution Reaction on 1T-MoS₂ from First Principles

Journal Article · Mon Jun 20 00:00:00 EDT 2016 · ACS Catalysis

DOI:https://doi.org/10.1021/acscatal.6b01211· OSTI ID:1485139

Tang, Qing ^[1]; Jiang, De-en ^[1]

Univ. of California, Riverside, CA (United States)

The 1T phase of transition-metal dichalcogenides (TMDs) has been shown in recent experiments to display excellent catalytic activity for hydrogen evolution reaction (HER), but the catalytic mechanism has not been elucidated so far. Herein, using 1T MoS₂ as the prototypical TMD material, we studied the HER activity on its basal plane from periodic density functional theory (DFT) calculations. Compared to the nonreactive basal plane of 2H phase MoS₂, the catalytic activity of the basal plane of 1T phase MoS₂ mainly arises from its affinity for binding H at the surface S sites. Using the binding free energy (ΔG_H) of H as the descriptor, we found that the optimum evolution of H2 will proceed at surface H coverage of 12.5% ~ 25%. Within this coverage, we viewed the reaction energy and barrier for the three elementary steps of the HER process. The Volmer step was found to be facile, whereas the subsequent Heyrovsky reaction is kinetically more favorable than the Tafel reaction. Our results suggest that at low overpotential, HER can take place readily on the basal plane of 1T MoS₂ via the Volmer–Heyrovsky mechanism. Moreover, we screened the dopants for the HER activity and found that substitutional doping of the Mo atom by metals such as Mn, Cr, Cu, Ni, and Fe can make 1T MoS₂ a better HER catalyst.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1485139

Journal Information:: ACS Catalysis, Vol. 6, Issue 8; ISSN 2155-5435

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 548 works

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References (76)

Solar Water Splitting Cells Walter, Michael G.; Warren, Emily L.; McKone, James R. Chemical Reviews, Vol. 110, Issue 11, p. 6446-6473 https://doi.org/10.1021/cr1002326	journal	November 2010
Solar Energy Supply and Storage for the Legacy and Nonlegacy Worlds Cook, Timothy R.; Dogutan, Dilek K.; Reece, Steven Y. Chemical Reviews, Vol. 110, Issue 11 https://doi.org/10.1021/cr100246c	journal	November 2010
Rising Again: Opportunities and Challenges for Platinum-Free Electrocatalysts Abbas, Muhammad A.; Bang, Jin Ho Chemistry of Materials, Vol. 27, Issue 21 https://doi.org/10.1021/acs.chemmater.5b03331	journal	October 2015
Earth-abundant inorganic electrocatalysts and their nanostructures for energy conversion applications Faber, Matthew S.; Jin, Song Energy Environ. Sci., Vol. 7, Issue 11 https://doi.org/10.1039/C4EE01760A	journal	January 2014
Noble metal-free hydrogen evolution catalysts for water splitting Zou, Xiaoxin; Zhang, Yu Chemical Society Reviews, Vol. 44, Issue 15 https://doi.org/10.1039/C4CS00448E	journal	January 2015
Splitting Water with Cobalt Artero, Vincent; Chavarot-Kerlidou, Murielle; Fontecave, Marc Angewandte Chemie International Edition, Vol. 50, Issue 32 https://doi.org/10.1002/anie.201007987	journal	July 2011
Catalysts made of earth-abundant elements (Co, Ni, Fe) for water splitting: Recent progress and future challenges Du, Pingwu; Eisenberg, Richard Energy & Environmental Science, Vol. 5, Issue 3 https://doi.org/10.1039/c2ee03250c	journal	January 2012
Nanostructured Nickel Phosphide as an Electrocatalyst for the Hydrogen Evolution Reaction Popczun, Eric J.; McKone, James R.; Read, Carlos G. Journal of the American Chemical Society, Vol. 135, Issue 25 https://doi.org/10.1021/ja403440e	journal	June 2013
Highly Active Electrocatalysis of the Hydrogen Evolution Reaction by Cobalt Phosphide Nanoparticles Popczun, Eric J.; Read, Carlos G.; Roske, Christopher W. Angewandte Chemie International Edition, Vol. 53, Issue 21 https://doi.org/10.1002/anie.201402646	journal	April 2014
Multiple Phases of Molybdenum Carbide as Electrocatalysts for the Hydrogen Evolution Reaction Wan, Cheng; Regmi, Yagya N.; Leonard, Brian M. Angewandte Chemie International Edition, Vol. 53, Issue 25 https://doi.org/10.1002/anie.201402998	journal	May 2014
Hydrogen-Evolution Catalysts Based on Non-Noble Metal Nickel-Molybdenum Nitride Nanosheets Chen, Wei-Fu; Sasaki, Kotaro; Ma, Chao Angewandte Chemie International Edition, Vol. 51, Issue 25 https://doi.org/10.1002/anie.201200699	journal	May 2012
Salts of C ₆₀ (OH) ₈ Electrodeposited onto a Glassy Carbon Electrode: Surprising Catalytic Performance in the Hydrogen Evolution Reaction Zhuo, Junqiao; Wang, Tanyuan; Zhang, Gang Angewandte Chemie International Edition, Vol. 52, Issue 41 https://doi.org/10.1002/anie.201305328	journal	August 2013
Extraordinary Hydrogen Evolution and Oxidation Reaction Activity from Carbon Nanotubes and Graphitic Carbons Das, Rajib Kumar; Wang, Yan; Vasilyeva, Svetlana V. ACS Nano, Vol. 8, Issue 8 https://doi.org/10.1021/nn5030225	journal	July 2014
Porous C ₃ N ₄ Nanolayers@N-Graphene Films as Catalyst Electrodes for Highly Efficient Hydrogen Evolution Duan, Jingjing; Chen, Sheng; Jaroniec, Mietek ACS Nano, Vol. 9, Issue 1 https://doi.org/10.1021/nn506701x	journal	January 2015
Hydrogen evolution by a metal-free electrocatalyst Zheng, Yao; Jiao, Yan; Zhu, Yihan Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms4783	journal	April 2014
Efficient hydrogen evolution catalysis using ternary pyrite-type cobalt phosphosulphide Cabán-Acevedo, Miguel; Stone, Michael L.; Schmidt, J. R. Nature Materials, Vol. 14, Issue 12 https://doi.org/10.1038/nmat4410	journal	September 2015
Recent developments of molybdenum and tungsten sulfides as hydrogen evolution catalysts Merki, Daniel; Hu, Xile Energy & Environmental Science, Vol. 4, Issue 10, 3878 https://doi.org/10.1039/c1ee01970h	journal	January 2011
Recent Development of Molybdenum Sulfides as Advanced Electrocatalysts for Hydrogen Evolution Reaction Yan, Ya; Xia, BaoYu; Xu, Zhichuan ACS Catalysis, Vol. 4, Issue 6 https://doi.org/10.1021/cs500070x	journal	April 2014
Transition Metal Dichalcogenides and Beyond: Synthesis, Properties, and Applications of Single- and Few-Layer Nanosheets Lv, Ruitao; Robinson, Joshua A.; Schaak, Raymond E. Accounts of Chemical Research, Vol. 48, Issue 1 https://doi.org/10.1021/ar5002846	journal	December 2014
Biomimetic Hydrogen Evolution: MoS ₂ Nanoparticles as Catalyst for Hydrogen Evolution Hinnemann, Berit; Moses, Poul Georg; Bonde, Jacob Journal of the American Chemical Society, Vol. 127, Issue 15 https://doi.org/10.1021/ja0504690	journal	April 2005
Identification of Active Edge Sites for Electrochemical H₂ Evolution from MoS₂ Nanocatalysts Jaramillo, T. F.; Jorgensen, K. P.; Bonde, J. Science, Vol. 317, Issue 5834, p. 100-102 https://doi.org/10.1126/science.1141483	journal	July 2007
Pristine Basal- and Edge-Plane-Oriented Molybdenite MoS ₂ Exhibiting Highly Anisotropic Properties Tan, Shu Min; Ambrosi, Adriano; Sofer, Zdenĕk Chemistry - A European Journal, Vol. 21, Issue 19 https://doi.org/10.1002/chem.201500435	journal	March 2015
MoS₂ Nanoparticles Grown on Graphene An Advanced Catalyst for the Hydrogen Evolution Reaction Li, Yanguang; Wang, Hailiang; Xie, Liming Journal of the American Chemical Society, Vol. 133, Issue 19, p. 7296-7299 https://doi.org/10.1021/ja201269b	journal	May 2011
A Molecular MoS2 Edge Site Mimic for Catalytic Hydrogen Generation Karunadasa, H. I.; Montalvo, E.; Sun, Y. Science, Vol. 335, Issue 6069 https://doi.org/10.1126/science.1215868	journal	February 2012
Engineering the surface structure of MoS₂ to preferentially expose active edge sites for electrocatalysis Kibsgaard, Jakob; Chen, Zhebo; Reinecke, Benjamin N. Nature Materials, Vol. 11, Issue 11, p. 963-969 https://doi.org/10.1038/nmat3439	journal	October 2012
Synthesis of MoS₂ and MoSe₂ Films with Vertically Aligned Layers Kong, Desheng; Wang, Haotian; Cha, Judy J. Nano Letters, Vol. 13, Issue 3, p. 1341-1347 https://doi.org/10.1021/nl400258t	journal	February 2013
Highly Efficient Electrocatalytic Hydrogen Production by MoS _x Grown on Graphene-Protected 3D Ni Foams Chang, Yung-Huang; Lin, Cheng-Te; Chen, Tzu-Yin Advanced Materials, Vol. 25, Issue 5 https://doi.org/10.1002/adma.201202920	journal	October 2012
Defect-Rich MoS ₂ Ultrathin Nanosheets with Additional Active Edge Sites for Enhanced Electrocatalytic Hydrogen Evolution Xie, Junfeng; Zhang, Hao; Li, Shuang Advanced Materials, Vol. 25, Issue 40 https://doi.org/10.1002/adma.201302685	journal	August 2013
Tuning the MoS ₂ Edge-Site Activity for Hydrogen Evolution via Support Interactions Tsai, Charlie; Abild-Pedersen, Frank; Nørskov, Jens K. Nano Letters, Vol. 14, Issue 3 https://doi.org/10.1021/nl404444k	journal	February 2014
Active edge sites in MoSe ₂ and WSe ₂ catalysts for the hydrogen evolution reaction: a density functional study Tsai, Charlie; Chan, Karen; Abild-Pedersen, Frank Phys. Chem. Chem. Phys., Vol. 16, Issue 26 https://doi.org/10.1039/c4cp01237b	journal	January 2014
Electrocatalytic Hydrogen Evolution Reaction on Edges of a Few Layer Molybdenum Disulfide Nanodots Benson, John; Li, Meixian; Wang, Shuangbao ACS Applied Materials & Interfaces, Vol. 7, Issue 25 https://doi.org/10.1021/acsami.5b03399	journal	June 2015
An efficient molybdenum disulfide/cobalt diselenide hybrid catalyst for electrochemical hydrogen generation Gao, Min-Rui; Liang, Jin-Xia; Zheng, Ya-Rong Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms6982	journal	January 2015
Electrochemistry of Transition Metal Dichalcogenides: Strong Dependence on the Metal-to-Chalcogen Composition and Exfoliation Method Eng, Alex Yong Sheng; Ambrosi, Adriano; Sofer, Zdeněk ACS Nano, Vol. 8, Issue 12 https://doi.org/10.1021/nn503832j	journal	November 2014
Catalytic and Charge Transfer Properties of Transition Metal Dichalcogenides Arising from Electrochemical Pretreatment Chia, Xinyi; Ambrosi, Adriano; Sofer, Zdenek ACS Nano, Vol. 9, Issue 5 https://doi.org/10.1021/acsnano.5b00501	journal	April 2015
Conducting MoS ₂ Nanosheets as Catalysts for Hydrogen Evolution Reaction Voiry, Damien; Salehi, Maryam; Silva, Rafael Nano Letters, Vol. 13, Issue 12 https://doi.org/10.1021/nl403661s	journal	November 2013
Highly Effective Visible-Light-Induced H ₂ Generation by Single-Layer 1T-MoS ₂ and a Nanocomposite of Few-Layer 2H-MoS ₂ with Heavily Nitrogenated Graphene Maitra, Urmimala; Gupta, Uttam; De, Mrinmoy Angewandte Chemie International Edition, Vol. 52, Issue 49 https://doi.org/10.1002/anie.201306918	journal	November 2013
Enhanced Hydrogen Evolution Catalysis from Chemically Exfoliated Metallic MoS ₂ Nanosheets Lukowski, Mark A.; Daniel, Andrew S.; Meng, Fei Journal of the American Chemical Society, Vol. 135, Issue 28 https://doi.org/10.1021/ja404523s	journal	May 2013
Gram-Scale Aqueous Synthesis of Stable Few-Layered 1T-MoS ₂ : Applications for Visible-Light-Driven Photocatalytic Hydrogen Evolution Liu, Qin; Li, Xiuling; He, Qun Small, Vol. 11, Issue 41 https://doi.org/10.1002/smll.201501822	journal	August 2015
Photoluminescence from Chemically Exfoliated MoS₂ Eda, Goki; Yamaguchi, Hisato; Voiry, Damien Nano Letters, Vol. 11, Issue 12, p. 5111-5116 https://doi.org/10.1021/nl201874w	journal	December 2011
Covalent functionalization of monolayered transition metal dichalcogenides by phase engineering Voiry, Damien; Goswami, Anandarup; Kappera, Rajesh Nature Chemistry, Vol. 7, Issue 1 https://doi.org/10.1038/nchem.2108	journal	November 2014
Stabilization and Band-Gap Tuning of the 1T-MoS ₂ Monolayer by Covalent Functionalization Tang, Qing; Jiang, De-en Chemistry of Materials, Vol. 27, Issue 10 https://doi.org/10.1021/acs.chemmater.5b00986	journal	May 2015
Lithium Intercalation Compound Dramatically Influences the Electrochemical Properties of Exfoliated MoS ₂ Ambrosi, Adriano; Sofer, Zdeněk; Pumera, Martin Small, Vol. 11, Issue 5 https://doi.org/10.1002/smll.201400401	journal	September 2014
Enhanced catalytic activity in strained chemically exfoliated WS2 nanosheets for hydrogen evolution Voiry, Damien; Yamaguchi, Hisato; Li, Junwen Nature Materials, Vol. 12, Issue 9 https://doi.org/10.1038/nmat3700	journal	July 2013
Highly active hydrogen evolution catalysis from metallic WS ₂ nanosheets Lukowski, Mark A.; Daniel, Andrew S.; English, Caroline R. Energy Environ. Sci., Vol. 7, Issue 8 https://doi.org/10.1039/C4EE01329H	journal	January 2014
2H → 1T phase transition and hydrogen evolution activity of MoS ₂ , MoSe ₂ , WS ₂ and WSe ₂ strongly depends on the MX ₂ composition Ambrosi, Adriano; Sofer, Zdeněk; Pumera, Martin Chemical Communications, Vol. 51, Issue 40 https://doi.org/10.1039/C5CC00803D	journal	January 2015
Site-specific catalytic activity in exfoliated MoS ₂ single-layer polytypes for hydrogen evolution: basal plane and edges Fan, Xiao-Li; Yang, Yi; Xiao, Pin J. Mater. Chem. A, Vol. 2, Issue 48 https://doi.org/10.1039/C4TA05257A	journal	January 2014
Theoretical insights into the hydrogen evolution activity of layered transition metal dichalcogenides Tsai, Charlie; Chan, Karen; Nørskov, Jens K. Surface Science, Vol. 640 https://doi.org/10.1016/j.susc.2015.01.019	journal	October 2015
Activating and tuning basal planes of MoO ₂ , MoS ₂ , and MoSe ₂ for hydrogen evolution reaction Lin, Shi-Hsin; Kuo, Jer-Lai Physical Chemistry Chemical Physics, Vol. 17, Issue 43 https://doi.org/10.1039/C5CP04760A	journal	January 2015
A first-principles examination of conducting monolayer 1T′-MX ₂ (M = Mo, W; X = S, Se, Te): promising catalysts for hydrogen evolution reaction and its enhancement by strain Putungan, Darwin Barayang; Lin, Shi-Hsin; Kuo, Jer-Lai Physical Chemistry Chemical Physics, Vol. 17, Issue 33 https://doi.org/10.1039/C5CP03799A	journal	January 2015
Charge Mediated Semiconducting-to-Metallic Phase Transition in Molybdenum Disulfide Monolayer and Hydrogen Evolution Reaction in New 1T′ Phase Gao, Guoping; Jiao, Yan; Ma, Fengxian The Journal of Physical Chemistry C, Vol. 119, Issue 23 https://doi.org/10.1021/acs.jpcc.5b04658	journal	June 2015
Correction to “Two-Dimensional Metal Dichalcogenides and Oxides for Hydrogen Evolution: A Computational Screening Approach” Pandey, Mohnish; Vojvodic, Aleksandra; Thygesen, Kristian S. The Journal of Physical Chemistry Letters, Vol. 6, Issue 14 https://doi.org/10.1021/acs.jpclett.5b01299	journal	June 2015
Origin of hydrogen evolution activity on MS ₂ (M = Mo or Nb) monolayers Chen, Xiaobo; Gu, Yu; Tao, Guohua Journal of Materials Chemistry A, Vol. 3, Issue 37 https://doi.org/10.1039/C5TA02817E	journal	January 2015
Catalytic Activity of MS ₂ Monolayer for Electrochemical Hydrogen Evolution Fan, Xiaoli; Wang, Shiyao; An, Yurong The Journal of Physical Chemistry C, Vol. 120, Issue 3 https://doi.org/10.1021/acs.jpcc.5b10709	journal	January 2016
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Grimme, Stefan; Antony, Jens; Ehrlich, Stephan The Journal of Chemical Physics, Vol. 132, Issue 15 https://doi.org/10.1063/1.3382344	journal	April 2010
A climbing image nudged elastic band method for finding saddle points and minimum energy paths Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904 https://doi.org/10.1063/1.1329672	journal	December 2000
Computational high-throughput screening of electrocatalytic materials for hydrogen evolution Greeley, Jeff; Jaramillo, Thomas F.; Bonde, Jacob Nature Materials, Vol. 5, Issue 11, p. 909-913 https://doi.org/10.1038/nmat1752	journal	October 2006
Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode Skúlason, Egill; Karlberg, Gustav S.; Rossmeisl, Jan Phys. Chem. Chem. Phys., Vol. 9, Issue 25 https://doi.org/10.1039/B700099E	journal	January 2007
Modeling the electrified solid–liquid interface Rossmeisl, Jan; Skúlason, Egill; Björketun, Mårten E. Chemical Physics Letters, Vol. 466, Issue 1-3 https://doi.org/10.1016/j.cplett.2008.10.024	journal	November 2008
Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations Skúlason, Egill; Tripkovic, Vladimir; Björketun, Mårten E. The Journal of Physical Chemistry C, Vol. 114, Issue 42 https://doi.org/10.1021/jp1048887	journal	October 2010
Interfacial processes involving electrocatalytic evolution and oxidation of H₂, and the role of chemisorbed H Conway, B. E.; Tilak, B. V. Electrochimica Acta, Vol. 47, Issue 22-23, p. 3571-3594 https://doi.org/10.1016/S0013-4686(02)00329-8	journal	August 2002
Insight on Tafel slopes from a microkinetic analysis of aqueous electrocatalysis for energy conversion Shinagawa, Tatsuya; Garcia-Esparza, Angel T.; Takanabe, Kazuhiro Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep13801	journal	September 2015
The Reaction Mechanism with Free Energy Barriers for Electrochemical Dihydrogen Evolution on MoS ₂ Huang, Yufeng; Nielsen, Robert J.; Goddard, William A. Journal of the American Chemical Society, Vol. 137, Issue 20 https://doi.org/10.1021/jacs.5b03329	journal	May 2015
The morphology of MoS2, WS2, Co–Mo–S, Ni–Mo–S and Ni–W–S nanoclusters in hydrodesulfurization catalysts revealed by HAADF-STEM Brorson, M.; Carlsson, A.; Topsøe, H. Catalysis Today, Vol. 123, Issue 1-4 https://doi.org/10.1016/j.cattod.2007.01.073	journal	May 2007
Highly active MoS2, CoMoS2 and NiMoS2 unsupported catalysts prepared by hydrothermal synthesis for hydrodesulfurization of 4,6-dimethyldibenzothiophene Yoosuk, Boonyawan; Kim, Jae Hyung; Song, Chunshan Catalysis Today, Vol. 130, Issue 1 https://doi.org/10.1016/j.cattod.2007.07.003	journal	January 2008
The single-layered morphology of supported MoS2-based catalysts—The role of the cobalt promoter and its effects in the hydrodesulfurization of dibenzothiophene Berhault, Gilles; Perez De la Rosa, Myriam; Mehta, Apurva Applied Catalysis A: General, Vol. 345, Issue 1 https://doi.org/10.1016/j.apcata.2008.04.034	journal	July 2008
Fe, Co, and Ni ions promote the catalytic activity of amorphous molybdenum sulfide films for hydrogen evolution Merki, Daniel; Vrubel, Heron; Rovelli, Lorenzo Chemical Science, Vol. 3, Issue 8 https://doi.org/10.1039/c2sc20539d	journal	January 2012
Highly efficient electrocatalytic hydrogen production by nickel promoted molybdenum sulfide microspheres catalysts Lv, Xiao-Jun; She, Guang-Wei; Zhou, Shi-Xiong RSC Advances, Vol. 3, Issue 44 https://doi.org/10.1039/c3ra42340a	journal	January 2013
Triggering the electrocatalytic hydrogen evolution activity of the inert two-dimensional MoS ₂ surface via single-atom metal doping Deng, Jiao; Li, Haobo; Xiao, Jianping Energy & Environmental Science, Vol. 8, Issue 5 https://doi.org/10.1039/C5EE00751H	journal	January 2015
Co-Doped MoS ₂ Nanosheets with the Dominant CoMoS Phase Coated on Carbon as an Excellent Electrocatalyst for Hydrogen Evolution Dai, Xiaoping; Du, Kangli; Li, Zhanzhao ACS Applied Materials & Interfaces, Vol. 7, Issue 49 https://doi.org/10.1021/acsami.5b08420	journal	December 2015
Synthesis, Properties, and Applications of Transition Metal-Doped Layered Transition Metal Dichalcogenides Tedstone, Aleksander A.; Lewis, David J.; O’Brien, Paul Chemistry of Materials, Vol. 28, Issue 7 https://doi.org/10.1021/acs.chemmater.6b00430	journal	March 2016
Controllable Disorder Engineering in Oxygen-Incorporated MoS ₂ Ultrathin Nanosheets for Efficient Hydrogen Evolution Xie, Junfeng; Zhang, Jiajia; Li, Shuang Journal of the American Chemical Society, Vol. 135, Issue 47 https://doi.org/10.1021/ja408329q	journal	November 2013
Amorphous MoS _x Cl _y electrocatalyst supported by vertical graphene for efficient electrochemical and photoelectrochemical hydrogen generation Zhang, Xingwang; Meng, Fei; Mao, Shun Energy & Environmental Science, Vol. 8, Issue 3 https://doi.org/10.1039/C4EE03240C	journal	January 2015
Metal-free graphitic carbon nitride as mechano-catalyst for hydrogen evolution reaction Gao, Guoping; Jiao, Yan; Ma, Fengxian Journal of Catalysis, Vol. 332 https://doi.org/10.1016/j.jcat.2015.10.006	journal	December 2015

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TiS ₂ Monolayer as an Emerging Ultrathin Bifunctional Catalyst: Influence of Defects and Functionalization Das, Tisita; Chakraborty, Sudip; Ahuja, Rajeev ChemPhysChem, Vol. 20, Issue 4 https://doi.org/10.1002/cphc.201801031	journal	January 2019
Hybrid catalyst with monoclinic MoTe ₂ and platinum for efficient hydrogen evolution Seok, Jinbong; Lee, Jun-Ho; Bae, Dongyeon APL Materials, Vol. 7, Issue 7 https://doi.org/10.1063/1.5094957	journal	July 2019
A simple electrochemical route to metallic phase trilayer MoS ₂ : evaluation as electrocatalysts and supercapacitors Ejigu, Andinet; Kinloch, Ian A.; Prestat, Eric Journal of Materials Chemistry A, Vol. 5, Issue 22 https://doi.org/10.1039/c7ta02577g	journal	January 2017
Tuning the catalytic activity of heterogeneous two-dimensional transition metal dichalcogenides for hydrogen evolution Noh, Seung Hyo; Hwang, Jeemin; Kang, Joonhee Journal of Materials Chemistry A, Vol. 6, Issue 41 https://doi.org/10.1039/c8ta07141a	journal	January 2018
MoS2 Coexisting in 1T and 2H Phases Synthesized by Common Hydrothermal Method for Hydrogen Evolution Reaction Yao, Yixin; Ao, Kelong; Lv, Pengfei Nanomaterials, Vol. 9, Issue 6 https://doi.org/10.3390/nano9060844	journal	June 2019
High‐Current‐Density HER Electrocatalysts: Graphene‐like Boron Layer and Tungsten as Key Ingredients in Metal Diborides Park, Hyounmyung; Zhang, Yuemei; Lee, Eunsoo ChemSusChem, Vol. 12, Issue 16 https://doi.org/10.1002/cssc.201901301	journal	July 2019
Methane adsorption on strained 1T′-MoS ₂ monolayer: insights from density functional theory calculations Santos-Putungan, Alexandra B.; Putungan, Darwin Barayang Materials Research Express, Vol. 6, Issue 6 https://doi.org/10.1088/2053-1591/ab104d	journal	March 2019
Versatile two-dimensional silicon diphosphide (SiP ₂ ) for photocatalytic water splitting Matta, Sri Kasi; Zhang, Chunmei; Jiao, Yalong Nanoscale, Vol. 10, Issue 14 https://doi.org/10.1039/c7nr07994j	journal	January 2018
Ab initio study of adsorption and diffusion of lithium on transition metal dichalcogenide monolayers Sun, Xiaoli; Wang, Zhiguo Beilstein Journal of Nanotechnology, Vol. 8 https://doi.org/10.3762/bjnano.8.270	journal	January 2017
Assembly and Redox-Rich Hydride Chemistry of an Asymmetric Mo2S2 Platform McSkimming, Alex; Taylor, Jordan W.; Harman, W. Hill Molecules, Vol. 25, Issue 13 https://doi.org/10.3390/molecules25133090	journal	July 2020
Earth-Abundant Electrocatalysts in Proton Exchange Membrane Electrolyzers Sun, Xinwei; Xu, Kaiqi; Fleischer, Christian Catalysts, Vol. 8, Issue 12 https://doi.org/10.3390/catal8120657	journal	December 2018
Unravelling the synergy effects of defect-rich 1T-MoS ₂ /carbon nanotubes for the hydrogen evolution reaction by experimental and calculational studies Jayabal, Subramaniam; Saranya, Govindarajan; Liu, Yongqiang Sustainable Energy & Fuels, Vol. 3, Issue 8 https://doi.org/10.1039/c9se00244h	journal	January 2019
Role of non-metallic atoms in enhancing the catalytic activity of nickel-based compounds for hydrogen evolution reaction Zheng, Xingqun; Peng, Lishan; Li, Li Chemical Science, Vol. 9, Issue 7 https://doi.org/10.1039/c7sc04851c	journal	January 2018
Phase-selective synthesis of 1T′ MoS2 monolayers and heterophase bilayers Liu, Lina; Wu, Juanxia; Wu, Liyuan Nature Materials, Vol. 17, Issue 12 https://doi.org/10.1038/s41563-018-0187-1	journal	October 2018
A MoS ₂ nanosheet-coated mesh for pH-induced multi-pollutant water remediation with in situ electrocatalysis Qu, Ruixiang; Liu, Na; Chen, Yuning Journal of Materials Chemistry A, Vol. 6, Issue 15 https://doi.org/10.1039/c8ta00685g	journal	January 2018
Vanadium doped few-layer ultrathin MoS ₂ nanosheets on reduced graphene oxide for high-performance hydrogen evolution reaction Singh, Ashwani Kumar; Prasad, Jagdees; Azad, Uday Pratap RSC Advances, Vol. 9, Issue 39 https://doi.org/10.1039/c9ra03589c	journal	January 2019
Two-dimensional MoS ₂ –melamine hybrid nanostructures for enhanced catalytic hydrogen evolution reaction Kwak, In Hye; Kwon, Ik Seon; Debela, Tekalign Terfa Journal of Materials Chemistry A, Vol. 7, Issue 39 https://doi.org/10.1039/c9ta07802a	journal	January 2019
Hierarchical Cobalt Sulfide/Molybdenum Sulfide Heterostructure as Bifunctional Electrocatalyst towards Overall Water Splitting Shit, Subhasis; Chhetri, Suman; Bolar, Saikat ChemElectroChem, Vol. 6, Issue 2 https://doi.org/10.1002/celc.201801343	journal	November 2018
The mechanism of hydrogen adsorption on transition metal dichalcogenides as hydrogen evolution reaction catalyst Wang, Jinsong; Liu, Jia; Zhang, Bao Physical Chemistry Chemical Physics, Vol. 19, Issue 15 https://doi.org/10.1039/c7cp00636e	journal	January 2017
Oxygen incorporated WS ₂ nanoclusters with superior electrocatalytic properties for hydrogen evolution reaction Sarma, Prasad V.; Tiwary, Chandra Sekhar; Radhakrishnan, Sruthi Nanoscale, Vol. 10, Issue 20 https://doi.org/10.1039/c8nr00253c	journal	January 2018
TMD-based highly efficient electrocatalysts developed by combined computational and experimental approaches Zhu, Changrong (Rose); Gao, Daqiang; Ding, Jun Chemical Society Reviews, Vol. 47, Issue 12 https://doi.org/10.1039/c7cs00705a	journal	January 2018
Heterostructures of MXenes and N-doped graphene as highly active bifunctional electrocatalysts Zhou, Si; Yang, Xiaowei; Pei, Wei Nanoscale, Vol. 10, Issue 23 https://doi.org/10.1039/c8nr01090k	journal	January 2018
Modulating Electronic Structures of Inorganic Nanomaterials for Efficient Electrocatalytic Water Splitting Du, Xinchuan; Huang, Jianwen; Zhang, Junjun Angewandte Chemie International Edition, Vol. 58, Issue 14 https://doi.org/10.1002/anie.201810104	journal	March 2019
Enhancement of photocatalytic H ₂ production by metal complex electrostatic adsorption on TiO ₂ (B) nanosheets Kong, Xiangchen; Gao, Zhonghui; Gong, Yue Journal of Materials Chemistry A, Vol. 7, Issue 8 https://doi.org/10.1039/c8ta10421b	journal	January 2019
The rapid electrochemical activation of MoTe2 for the hydrogen evolution reaction McGlynn, Jessica C.; Dankwort, Torben; Kienle, Lorenz Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-12831-0	journal	October 2019
Stable Sulfur-Intercalated 1T′ MoS ₂ on Graphitic Nanoribbons as Hydrogen Evolution Electrocatalyst Ekspong, Joakim; Sandström, Robin; Rajukumar, Lakshmy Pulickal Advanced Functional Materials, Vol. 28, Issue 46 https://doi.org/10.1002/adfm.201802744	journal	October 2018
Two dimensional MoS ₂ meets porphyrins via intercalation to enhance the electrocatalytic activity toward hydrogen evolution Kwon, Ik Seon; Kwak, In Hye; Abbas, Hafiz Ghulam Nanoscale, Vol. 11, Issue 9 https://doi.org/10.1039/c8nr10165e	journal	January 2019
The Origin of High Activity of Amorphous MoS ₂ in the Hydrogen Evolution Reaction Wu, Longfei; Longo, Alessandro; Dzade, Nelson Y. ChemSusChem, Vol. 12, Issue 19 https://doi.org/10.1002/cssc.201901811	journal	August 2019
Ultra-high electrocatalytic activity of VS ₂ nanoflowers for efficient hydrogen evolution reaction Qu, Yuanju; Shao, Mengmeng; Shao, Yangfan Journal of Materials Chemistry A, Vol. 5, Issue 29 https://doi.org/10.1039/c7ta03172f	journal	January 2017
Incorporation of active phase in porous MoS2 for enhanced hydrogen evolution reaction Qiao, Wen; Ma, Tiantian; Xu, Xiaoyong Journal of Materials Science: Materials in Electronics, Vol. 31, Issue 5 https://doi.org/10.1007/s10854-020-02959-x	journal	January 2020
Strain and defect engineered monolayer Ni-MoS ₂ for pH-universal hydrogen evolution catalysis Liang, Dan; Zhang, Yong-Wei; Lu, Pengfei Nanoscale, Vol. 11, Issue 39 https://doi.org/10.1039/c9nr06541e	journal	January 2019
VS ₂ : an efficient catalyst for an electrochemical hydrogen evolution reaction in an acidic medium Das, Jiban K.; Samantara, Aneeya K.; Nayak, Arpan K. Dalton Transactions, Vol. 47, Issue 39 https://doi.org/10.1039/c8dt02547a	journal	January 2018
Enhancing hydrogen evolution activity by doping and tuning the curvature of manganese-embedded carbon nanotubes Liu, Haijun; Zhao, Lianming; Liu, Yonghui Catalysis Science & Technology, Vol. 9, Issue 19 https://doi.org/10.1039/c9cy01174a	journal	January 2019
Engineering MoS ₂ Basal Planes for Hydrogen Evolution via Synergistic Ruthenium Doping and Nanocarbon Hybridization Zhang, Xing; Zhou, Feng; Zhang, Shen Advanced Science, Vol. 6, Issue 10 https://doi.org/10.1002/advs.201900090	journal	March 2019
Liquid-Phase Exfoliated Indium-Selenide Flakes and Their Application in Hydrogen Evolution Reaction Petroni, Elisa; Lago, Emanuele; Bellani, Sebastiano Small, Vol. 14, Issue 26 https://doi.org/10.1002/smll.201800749	journal	May 2018
Modulierung der elektronischen Strukturen anorganischer Nanomaterialien für eine effiziente elektrokatalytische Wasserspaltung Du, Xinchuan; Huang, Jianwen; Zhang, Junjun Angewandte Chemie, Vol. 131, Issue 14 https://doi.org/10.1002/ange.201810104	journal	February 2019
Molybdenum diboride nanoparticles as a highly efficient electrocatalyst for the hydrogen evolution reaction Jothi, Palani R.; Zhang, Yuemei; Scheifers, Jan P. Sustainable Energy & Fuels, Vol. 1, Issue 9 https://doi.org/10.1039/c7se00397h	journal	January 2017
A theoretical study on the surface and interfacial properties of Ni ₃ P for the hydrogen evolution reaction Hu, Jun; Zheng, Shunli; Zhao, Xin Journal of Materials Chemistry A, Vol. 6, Issue 17 https://doi.org/10.1039/c8ta00437d	journal	January 2018
Electronic, magnetic, catalytic, and electrochemical properties of two-dimensional Janus transition metal chalcogenides Chen, Wenzhou; Qu, Yuanju; Yao, Lingmin Journal of Materials Chemistry A, Vol. 6, Issue 17 https://doi.org/10.1039/c8ta01202d	journal	January 2018
Exploration of iron borides as electrochemical catalysts for the nitrogen reduction reaction Li, Qinye; Liu, Chuangwei; Qiu, Siyao Journal of Materials Chemistry A, Vol. 7, Issue 37 https://doi.org/10.1039/c9ta04650j	journal	January 2019
Cracked monolayer 1T MoS ₂ with abundant active sites for enhanced electrocatalytic hydrogen evolution Li, Yue; Wang, Longlu; Zhang, Shuqu Catalysis Science & Technology, Vol. 7, Issue 3 https://doi.org/10.1039/c6cy02649d	journal	January 2017
Impact of H-termination on the nitrogen reduction reaction of molybdenum carbide as an electrochemical catalyst Li, Qinye; Qiu, Siyao; He, Lizhong Physical Chemistry Chemical Physics, Vol. 20, Issue 36 https://doi.org/10.1039/c8cp04474k	journal	January 2018
Promoting proton coupled electron transfer in redox catalysts through molecular design Thammavongsy, Zachary; Mercer, Ian P.; Yang, Jenny Y. Chemical Communications, Vol. 55, Issue 70 https://doi.org/10.1039/c9cc05139b	journal	January 2019
Deep insights into the exfoliation properties of MAX to MXenes and the hydrogen evolution performances of 2D MXenes Cheng, Yuwen; Wang, Lijuan; Song, Yan Journal of Materials Chemistry A, Vol. 7, Issue 26 https://doi.org/10.1039/c9ta03859k	journal	January 2019
Few-layered 1T-MoS ₂ -modified ZnCoS solid-solution hollow dodecahedra for enhanced photocatalytic hydrogen evolution Mao, Qing; Chen, Jianmin; Chen, Huirong Journal of Materials Chemistry A, Vol. 7, Issue 14 https://doi.org/10.1039/c8ta12526k	journal	January 2019
Template‐Assisted Synthesis of Metallic 1T′‐Sn _0.3 W _0.7 S ₂ Nanosheets for Hydrogen Evolution Reaction Shao, Gonglei; Xue, Xiong‐Xiong; Wu, Binbin Advanced Functional Materials, Vol. 30, Issue 5 https://doi.org/10.1002/adfm.201906069	journal	November 2019
Role of Dimensionality for Photocatalytic Water Splitting: CdS Nanotube versus Bulk Structure Garg, Priyanka; Bhauriyal, Preeti; Mahata, Arup ChemPhysChem, Vol. 20, Issue 3 https://doi.org/10.1002/cphc.201801051	journal	January 2019
Synergistic Phase and Disorder Engineering in 1T-MoSe ₂ Nanosheets for Enhanced Hydrogen-Evolution Reaction Yin, Ying; Zhang, Yumin; Gao, Tangling Advanced Materials, Vol. 29, Issue 28 https://doi.org/10.1002/adma.201700311	journal	May 2017
Hydrogen adsorption engineering by intramolecular proton transfer on 2D nanosheets Lee, Hanleem; Bak, Sora; Cho, Yunhee NPG Asia Materials, Vol. 10, Issue 5 https://doi.org/10.1038/s41427-018-0037-2	journal	May 2018
Synergetic Exfoliation and Lateral Size Engineering of MoS ₂ for Enhanced Photocatalytic Hydrogen Generation Yin, Lisha; Hai, Xiao; Chang, Kun Small, Vol. 14, Issue 14 https://doi.org/10.1002/smll.201704153	journal	March 2018
Hydrogenation-controlled phase transition on two-dimensional transition metal dichalcogenides and their unique physical and catalytic properties Qu, Yuanju; Pan, Hui; Kwok, Chi Tat Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep34186	journal	September 2016
The atomic origin of nickel-doping-induced catalytic enhancement in MoS ₂ for electrochemical hydrogen production Luo, Ruichun; Luo, Min; Wang, Ziqian Nanoscale, Vol. 11, Issue 15 https://doi.org/10.1039/c8nr10023c	journal	January 2019
Intercalation of cobaltocene into WS ₂ nanosheets for enhanced catalytic hydrogen evolution reaction Kwak, In Hye; Abbas, Hafiz Ghulam; Kwon, Ik Seon Journal of Materials Chemistry A, Vol. 7, Issue 14 https://doi.org/10.1039/c9ta01238a	journal	January 2019
Recent progress of TMD nanomaterials: phase transitions and applications Huang, H. H.; Fan, Xiaofeng; Singh, David J. Nanoscale, Vol. 12, Issue 3 https://doi.org/10.1039/c9nr08313h	journal	January 2020
Theoretical Analysis of the Galvanic Corrosion Behavior of Mg-Ge Binary Alloy Luo, Zhe; Xu, Jialiang; Wang, Yaowei Journal of The Electrochemical Society, Vol. 166, Issue 13 https://doi.org/10.1149/2.1061913jes	journal	January 2019
Molybdenum Sulphoselenophosphide Spheroids as an Effective Catalyst for Hydrogen Evolution Reaction Bose, Ranjith; Jothi, Vasanth Rajendiran; Koh, Beomsoo Small, Vol. 14, Issue 8 https://doi.org/10.1002/smll.201703862	journal	January 2018
Proposal of a stable B ₃ S nanosheet as an efficient hydrogen evolution catalyst Wu, Hong; Li, Xingxing; Zhang, Ruiqi Journal of Materials Chemistry A, Vol. 7, Issue 8 https://doi.org/10.1039/c8ta11797g	journal	January 2019
Transition metal embedded C ₃ N monolayers as promising catalysts for the hydrogen evolution reaction Zhao, Yameng; Ma, Dongwei; Zhang, Jing Physical Chemistry Chemical Physics, Vol. 21, Issue 36 https://doi.org/10.1039/c9cp04267a	journal	January 2019
Recent Development of Metallic (1T) Phase of Molybdenum Disulfide for Energy Conversion and Storage Lei, Zhendong; Zhan, Jing; Tang, Liang Advanced Energy Materials, Vol. 8, Issue 19 https://doi.org/10.1002/aenm.201703482	journal	March 2018
Two-dimensional π-conjugated metal–organic nanosheets as single-atom catalysts for the hydrogen evolution reaction Ji, Yujin; Dong, Huilong; Liu, Cheng Nanoscale, Vol. 11, Issue 2 https://doi.org/10.1039/c8nr05900d	journal	January 2019
Agent-assisted VSSe ternary alloy single crystals as an efficient stable electrocatalyst for the hydrogen evolution reaction Hu, Peng; Long, Guankui; Chaturvedi, Apoorva Journal of Materials Chemistry A, Vol. 7, Issue 26 https://doi.org/10.1039/c9ta04287c	journal	January 2019
A hidden symmetry-broken phase of MoS ₂ revealed as a superior photovoltaic material Xu, Meiling; Chen, Yue; Xiong, Fen Journal of Materials Chemistry A, Vol. 6, Issue 33 https://doi.org/10.1039/c8ta05459b	journal	January 2018
Small stoichiometric (MoS ₂ ) _n clusters with the 1T phase Wang, Ya-Ya; Deng, Jia-Jun; Wang, Xin Physical Chemistry Chemical Physics, Vol. 20, Issue 9 https://doi.org/10.1039/c7cp07914a	journal	January 2018
Urchin-like Mo ₂ S ₃ prepared via a molten salt assisted method for efficient hydrogen evolution Zhou, Xiaowen; Zhao, Wei; Pan, Jie Chemical Communications, Vol. 54, Issue 90 https://doi.org/10.1039/c8cc06714g	journal	January 2018
Emerging two-dimensional nanomaterials for electrochemical hydrogen evolution Chen, Yunxu; Yang, Kena; Jiang, Bei Journal of Materials Chemistry A, Vol. 5, Issue 18 https://doi.org/10.1039/c7ta00816c	journal	January 2017
Synergistic modulation in MX ₂ (where M = Mo or W or V, and X = S or Se) for an enhanced hydrogen evolution reaction Wang, Ran; Han, Jiecai; Zhang, Xinghong Journal of Materials Chemistry A, Vol. 6, Issue 44 https://doi.org/10.1039/c8ta05912h	journal	January 2018
Cracked eight-awn star TaS ₂ with fractal structures used as an efficient electrocatalyst for the hydrogen evolution reaction Feng, Yu; Yu, Ke; Zhu, Ziqiang CrystEngComm, Vol. 21, Issue 22 https://doi.org/10.1039/c9ce00492k	journal	January 2019
Computational Insights into Materials and Interfaces for Capacitive Energy Storage Zhan, Cheng; Lian, Cheng; Zhang, Yu Advanced Science, Vol. 4, Issue 7 https://doi.org/10.1002/advs.201700059	journal	April 2017
Stable Active Sites on Ni ₁₂ P ₅ Surfaces for the Hydrogen Evolution Reaction Hu, Jun; Chen, Wei; Zhao, Xin Energy Technology, Vol. 7, Issue 6 https://doi.org/10.1002/ente.201900013	journal	May 2019
A comparative study of hydrogen evolution reaction on pseudo-monolayer WS ₂ and PtS ₂ : insights based on the density functional theory Mir, Showkat H.; Chakraborty, Sudip; Wärnå, John Catalysis Science & Technology, Vol. 7, Issue 3 https://doi.org/10.1039/c6cy02426b	journal	January 2017
Understanding the high-electrocatalytic performance of two-dimensional MoS ₂ nanosheets and their composite materials Jayabal, Subramaniam; Saranya, Govindarajan; Wu, Jian Journal of Materials Chemistry A, Vol. 5, Issue 47 https://doi.org/10.1039/c7ta08327k	journal	January 2017
Theoretical investigation on the hydrogen evolution reaction mechanism at MoS ₂ heterostructures: the essential role of the 1T/2H phase interface Zhang, Tian; Zhu, Houyu; Guo, Chen Catalysis Science & Technology, Vol. 10, Issue 2 https://doi.org/10.1039/c9cy01901d	journal	January 2020
Surface intercalated spherical MoS _2x Se _2(1−x) nanocatalysts for highly efficient and durable hydrogen evolution reactions Lin, Bo; Lin, Zhiping; Chen, Shougang Dalton Transactions, Vol. 48, Issue 23 https://doi.org/10.1039/c9dt01218d	journal	January 2019
Unraveling the Role of Lithium in Enhancing the Hydrogen Evolution Activity of MoS₂: Intercalation versus Adsorption Wu, Longfei; Dzade, Nelson Y.; Yu, Miao ACS Energy Letters, Vol. 4, Issue 7 https://doi.org/10.1021/acsenergylett.9b00945	journal	June 2019
Progress in Electrocatalytic Hydrogen Evolution Based on Monolayer Molybdenum Disulfide Wang, Chuan; Huang, Jinzhao; Chen, Jiayue Frontiers in Chemistry, Vol. 7 https://doi.org/10.3389/fchem.2019.00131	journal	March 2019

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Title: Mechanism of Hydrogen Evolution Reaction on 1T-MoS2 from First Principles

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Title: Mechanism of Hydrogen Evolution Reaction on 1T-MoS₂ from First Principles