Effect of Intercalated Metals on the Electrocatalytic Activity of 1T-MoS 2 for the Hydrogen Evolution Reaction

Attanayake, Nuwan H.; Thenuwara, Akila C.; Patra, Abhirup; Aulin, Yaroslav V.; Tran, Thi M.; Chakraborty, Himanshu; Borguet, Eric; Klein, Michael L.; Perdew, John P.; Strongin, Daniel R.

doi:10.1021/acsenergylett.7b00865

Title: Effect of Intercalated Metals on the Electrocatalytic Activity of 1T-MoS ₂ for the Hydrogen Evolution Reaction

Journal Article · Thu Nov 09 00:00:00 EST 2017 · ACS Energy Letters

DOI:https://doi.org/10.1021/acsenergylett.7b00865· OSTI ID:1470020

^[1];

^[1]; Patra, Abhirup ^[1];

^[2]; Tran, Thi M. ^[3]; Chakraborty, Himanshu ^[4]; Borguet, Eric ^[2]; Klein, Michael L. ^[4]; Perdew, John P. ^[5];

^[2]

Temple Univ., Philadelphia, PA (United States). Dept. of Chemistry, and Center for Computational Design of Functional Layered Materials (CCDM)
Temple Univ., Philadelphia, PA (United States). Dept. of Chemistry, Center for Computational Design of Functional Layered Materials (CCDM)
Temple Univ., Philadelphia, PA (United States). Dept. of Chemistry
Temple Univ., Philadelphia, PA (United States). Dept. of Chemistry, Center for Computational Design of Functional Layered Materials (CCDM), and Inst. for Computational Molecular Science
Temple Univ., Philadelphia, PA (United States). Dept. of Physics, Center for Computational Design of Functional Layered Materials (CCDM)

We show that intercalation of cations (Na⁺, Ca2⁺, Ni2⁺, and Co2⁺) into the interlayer region of 1T-MoS2 is an effective strategy to lower the overpotential for the hydrogen evolution reaction (HER). In acidic media the onset potential for 1T-MoS₂ with intercalated ions is lowered by ~60 mV relative to that for pristine 1T-MoS₂ (onset of ~180 mV). Density functional theory (DFT) calculations show a lowering in the Gibbs free energy for H-adsorption (ΔGH) on these intercalated structures relative to intercalant-free 1T-MoS₂. The DFT calculations suggest that Na⁺ intercalation results in a $$ΔG_H$$ close to zero. Consistent with calculation, experiments show that the intercalation of Na⁺ ions into the interlayer region of 1T-MoS₂ results in the lowest overpotential for the HER.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for the Computational Design of Functional Layered Materials (CCDM)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0012575

OSTI ID:: 1470020

Journal Information:: ACS Energy Letters, Vol. 3, Issue 1; Related Information: CCDM partners with Temple University (lead); Brookhaven National Laboratory; Drexel University; Duke University; North Carolina State University; Northeastern University; Princeton University; Rice University; University of Pennsylvania; ISSN 2380-8195

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 166 works

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References (44)

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
Powering the planet with solar fuel Gray, Harry B. Nature Chemistry, Vol. 1, Issue 1 https://doi.org/10.1038/nchem.141	journal	April 2009
Powering the planet: Chemical challenges in solar energy utilization Lewis, N. S.; Nocera, D. G. Proceedings of the National Academy of Sciences, Vol. 103, Issue 43, p. 15729-15735 https://doi.org/10.1073/pnas.0603395103	journal	October 2006
Artificial Photosynthesis: Solar Splitting of Water to Hydrogen and Oxygen Bard, Allen J.; Fox, Marye Anne Accounts of Chemical Research, Vol. 28, Issue 3 https://doi.org/10.1021/ar00051a007	journal	March 1995
The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets Chhowalla, Manish; Shin, Hyeon Suk; Eda, Goki Nature Chemistry, Vol. 5, Issue 4, p. 263-275 https://doi.org/10.1038/nchem.1589	journal	April 2013
Molybdenum disulfide nanomaterials: Structures, properties, synthesis and recent progress on hydrogen evolution reaction He, Zuoli; Que, Wenxiu Applied Materials Today, Vol. 3 https://doi.org/10.1016/j.apmt.2016.02.001	journal	June 2016
From bulk crystals to atomically thin layers of group VI-transition metal dichalcogenides vapour phase synthesis Reale, Francesco; Sharda, Kanudha; Mattevi, Cecilia Applied Materials Today, Vol. 3 https://doi.org/10.1016/j.apmt.2015.12.003	journal	June 2016
Catalyzing the Hydrogen Evolution Reaction (HER) with Molybdenum Sulfide Nanomaterials Benck, Jesse D.; Hellstern, Thomas R.; Kibsgaard, Jakob ACS Catalysis, Vol. 4, Issue 11 https://doi.org/10.1021/cs500923c	journal	October 2014
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
Negative Electrocatalytic Effects of p-Doping Niobium and Tantalum on MoS ₂ and WS ₂ for the Hydrogen Evolution Reaction and Oxygen Reduction Reaction Chua, Xing Juan; Luxa, Jan; Eng, Alex Yong Sheng ACS Catalysis, Vol. 6, Issue 9 https://doi.org/10.1021/acscatal.6b01593	journal	August 2016
Catalytic Properties of Single Layers of Transition Metal Sulfide Catalytic Materials Chianelli, Russell R.; Siadati, Mohammad H.; De la Rosa, Myriam Perez Catalysis Reviews, Vol. 48, Issue 1, p. 1-41 https://doi.org/10.1080/01614940500439776	journal	January 2006
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
Electrochemistry of Nanostructured Layered Transition-Metal Dichalcogenides Chia, Xinyi; Eng, Alex Yong Sheng; Ambrosi, Adriano Chemical Reviews, Vol. 115, Issue 21 https://doi.org/10.1021/acs.chemrev.5b00287	journal	October 2015
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
All The Catalytic Active Sites of MoS ₂ for Hydrogen Evolution Li, Guoqing; Zhang, Du; Qiao, Qiao Journal of the American Chemical Society, Vol. 138, Issue 51 https://doi.org/10.1021/jacs.6b05940	journal	December 2016
Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies Li, Hong; Tsai, Charlie; Koh, Ai Leen Nature Materials, Vol. 15, Issue 1 https://doi.org/10.1038/nmat4465	journal	November 2015
Convenient preparation and physical properties of lithium intercalation compounds of Group 4B and 5B layered transition metal dichalcogenides Murphy, Donald W.; Di Salvo, Francis J.; Hull, George W. Inorganic Chemistry, Vol. 15, Issue 1 https://doi.org/10.1021/ic50155a005	journal	January 1976
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
Top-Down and Bottom-Up Approaches in Engineering 1 T Phase Molybdenum Disulfide (MoS ₂ ): Towards Highly Catalytically Active Materials Chua, Chun Kiang; Loo, Adeline Huiling; Pumera, Martin Chemistry - A European Journal, Vol. 22, Issue 40 https://doi.org/10.1002/chem.201602764	journal	August 2016
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
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
Metallic 1T phase MoS2 nanosheets as supercapacitor electrode materials Acerce, Muharrem; Voiry, Damien; Chhowalla, Manish Nature Nanotechnology, Vol. 10, Issue 4 https://doi.org/10.1038/nnano.2015.40	journal	March 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
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
Contributions of Phase, Sulfur Vacancies, and Edges to the Hydrogen Evolution Reaction Catalytic Activity of Porous Molybdenum Disulfide Nanosheets Yin, Ying; Han, Jiecai; Zhang, Yumin Journal of the American Chemical Society, Vol. 138, Issue 25 https://doi.org/10.1021/jacs.6b03714	journal	June 2016
Interface confined hydrogen evolution reaction in zero valent metal nanoparticles-intercalated molybdenum disulfide Chen, Zhongxin; Leng, Kai; Zhao, Xiaoxu Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms14548	journal	February 2017
Nickel Confined in the Interlayer Region of Birnessite: an Active Electrocatalyst for Water Oxidation Thenuwara, Akila C.; Cerkez, Elizabeth B.; Shumlas, Samantha L. Angewandte Chemie International Edition, Vol. 55, Issue 35 https://doi.org/10.1002/anie.201601935	journal	May 2016
Intercalation of Cobalt into the Interlayer of Birnessite Improves Oxygen Evolution Catalysis Thenuwara, Akila C.; Shumlas, Samantha L.; Attanayake, Nuwan H. ACS Catalysis, Vol. 6, Issue 11 https://doi.org/10.1021/acscatal.6b01980	journal	October 2016
Mechanism of Hydrogen Evolution Reaction on 1T-MoS ₂ from First Principles Tang, Qing; Jiang, De-en ACS Catalysis, Vol. 6, Issue 8 https://doi.org/10.1021/acscatal.6b01211	journal	June 2016
Trends in the Exchange Current for Hydrogen Evolution Nørskov, J. K.; Bligaard, T.; Logadottir, A. Journal of The Electrochemical Society, Vol. 152, Issue 3 https://doi.org/10.1149/1.1856988	journal	January 2005
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
Li intercalation across and along the van der Waals surfaces of MoS2(0001) Papageorgopoulos, C. A.; Jaegermann, W. Surface Science, Vol. 338, Issue 1-3 https://doi.org/10.1016/0039-6028(95)00544-7	journal	September 1995
Exfoliated and Restacked MoS ₂ and WS ₂ : Ionic or Neutral Species? Encapsulation and Ordering of Hard Electropositive Cations Heising, Joy; Kanatzidis, Mercouri G. Journal of the American Chemical Society, Vol. 121, Issue 50 https://doi.org/10.1021/ja991644d	journal	December 1999
Inclusion Systems of Organic Molecules in Restacked Single-Layer Molybdenum Disulfide Divigalpitiya, W. M. R.; Frindt, R. F.; Morrison, S. R. Science, Vol. 246, Issue 4928 https://doi.org/10.1126/science.246.4928.369	journal	October 1989
X-ray absorption fine structure study of the atomic and electronic structure of molybdenum disulfide intercalation compounds with transition metals Zubavichus, Yan V.; Slovokhotov, Yurii L.; Schilling, Paul J. Inorganica Chimica Acta, Vol. 280, Issue 1-2 https://doi.org/10.1016/S0020-1693(98)00209-6	journal	October 1998
Structural Characterization and Thermal Stability of MoS ₂ Intercalation Compounds Dungey, Keenan E.; Curtis, M. David; Penner-Hahn, James E. Chemistry of Materials, Vol. 10, Issue 8 https://doi.org/10.1021/cm980034u	journal	August 1998
Structure of Restacked MoS ₂ and WS ₂ Elucidated by Electron Crystallography Heising, Joy; Kanatzidis, Mercouri G. Journal of the American Chemical Society, Vol. 121, Issue 4 https://doi.org/10.1021/ja983043c	journal	February 1999
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
Benchmarking Hydrogen Evolving Reaction and Oxygen Evolving Reaction Electrocatalysts for Solar Water Splitting Devices McCrory, Charles C. L.; Jung, Suho; Ferrer, Ivonne M. Journal of the American Chemical Society, Vol. 137, Issue 13 https://doi.org/10.1021/ja510442p	journal	March 2015
Edge-terminated molybdenum disulfide with a 9.4-Å interlayer spacing for electrochemical hydrogen production Gao, Min-Rui; Chan, Maria K. Y.; Sun, Yugang Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8493	journal	July 2015
Ab-initio simulations of materials using VASP: Density-functional theory and beyond Hafner, Jürgen Journal of Computational Chemistry, Vol. 29, Issue 13 https://doi.org/10.1002/jcc.21057	journal	October 2008
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
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional Sun, Jianwei; Remsing, Richard C.; Zhang, Yubo Nature Chemistry, Vol. 8, Issue 9 https://doi.org/10.1038/nchem.2535	journal	June 2016
Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation Peng, Haowei; Yang, Zeng-Hui; Perdew, John P. Physical Review X, Vol. 6, Issue 4 https://doi.org/10.1103/PhysRevX.6.041005	journal	October 2016

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Title: Effect of Intercalated Metals on the Electrocatalytic Activity of 1T-MoS 2 for the Hydrogen Evolution Reaction

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Title: Effect of Intercalated Metals on the Electrocatalytic Activity of 1T-MoS ₂ for the Hydrogen Evolution Reaction