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Molybdenum Sulfides and Selenides as Possible Electrocatalysts for CO 2 Reduction
Abstract
Linear scaling relations between reaction intermediates pose a fundamental limitation to the CO 2 reduction activity of transition‐metal catalysts. To design improved catalysts, we propose to break these scaling relations by binding key reaction intermediates to different sites. Using density functional theory, we demonstrate this principle in the active edge sites in MoS 2 , MoSe 2 , and Ni‐doped MoS 2 . These edges show the unique property of selectively binding COOH and CHO to bridging S or Se atoms and CO to the metal atom. DFT calculations suggest a significant improvement in CO 2 reduction activity over the transition metals. Our results point to the broader application of the active edge sites of transition‐metal dichalcogenides in complex electrochemical processes.
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“In particular, as in the free energy diagram shown in Fig. 4 in detail, the predicted theoretical limiting potential (U L) for CH3OH production using Pt@dv-Gr is significantly less negative than any catalysts that produce CH4 or CH3OH in the literature, synthesized (–0.5 to –1.0 V)35,37,38 or predicted (–0.3 V to –1.0 V).4,6,39,40”
From Single-atom catalysts for CO 2 electroreduction with significant activity and selectivity improvements (2017) · cites this paper as [40]
Citations
Cites
Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G., Cococcioni, M., Dabo, I., et al. (2009) · Journal of Physics Condensed Matter · doi:10.1088/0953-8984/21/39/395502 · Cited by 29,793
Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
Wang, Q. H., Kalantar-Zadeh, K., Kis, A., Coleman, J. N., & Strano, M. S. (2012) · Nature Nanotechnology · doi:10.1038/nnano.2012.193 · Cited by 16,374
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
Nørskov, J. K., Rossmeisl, J., Logadottir, A., Lindqvist, L., Kitchin, J. R., Bligaard, T., & Jónsson, H. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp047349j · Cited by 13,153
Self-citationTrends in the exchange current for hydrogen evolution
Nørskov, J. K., Bligaard, T., Logadottir, A., Kitchin, J. R., Chen, J. G., Pandelov, S., & Stimming, U. (2005) · Journal of The Electrochemical Society · doi:10.1149/1.1856988 · Cited by 6,121
Self-citationIdentification of Active Edge Sites for Electrochemical H 2 Evolution from MoS 2 Nanocatalysts
Jaramillo, T. F., Jørgensen, K. P., Bonde, J., Nielsen, J. H., Horch, S., & Chorkendorff, I. (2007) · Science · doi:10.1126/science.1141483 · Cited by 6,100
Modern Aspects of Electrochemistry
Bockris, J. O., White, R. E., & Conway, B. E. (2002) · Kluwer Academic Publishers eBooks · doi:10.1007/b114168 · Cited by 5,954
Van der Waals Density Functional for General Geometries
Dion, M., Rydberg, H., Schröder, E., Langreth, D. C., & Lundqvist, B. I. (2004) · Physical Review Letters · doi:10.1103/physrevlett.92.246401 · Cited by 5,631
Biomimetic Hydrogen Evolution: MoS 2 Nanoparticles as Catalyst for Hydrogen Evolution
Hinnemann, B., Moses, P. G., Bonde, J., Jørgensen, K. P., Nielsen, J. H., Horch, S., Chorkendorff, I., & Nørskov, J. K. (2005) · Journal of the American Chemical Society · doi:10.1021/ja0504690 · Cited by 4,065
Self-citationHow copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
Peterson, A. A., Abild-Pedersen, F., Studt, F., Rossmeisl, J., & Nørskov, J. K. (2010) · Energy & Environmental Science · doi:10.1039/c0ee00071j · Cited by 3,784
Self-citationNew insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces
Kuhl, K. P., Cave, E. R., Abram, D. N., & Jaramillo, T. F. (2012) · Energy & Environmental Science · doi:10.1039/c2ee21234j · Cited by 3,160
Synthesis of MoS 2 and MoSe 2 Films with Vertically Aligned Layers
Kong, D., Wang, H., Cha, J. J., Pasta, M., Koski, K. J., Yao, J., & Cui, Y. (2013) · Nano Letters · doi:10.1021/nl400258t · Cited by 2,250
Li, C. W., & Kanan, M. W. (2012) · Journal of the American Chemical Society · doi:10.1021/ja3010978 · Cited by 2,000
The Brønsted–Evans–Polanyi relation and the volcano curve in heterogeneous catalysis
Bligaard, T., Nørskov, J. K., Dahl, S., Matthiesen, J., Christensen, C. H., & Sehested, J. (2004) · Journal of Catalysis · doi:10.1016/j.jcat.2004.02.034 · Cited by 1,728
Self-citationActivity Descriptors for CO 2 Electroreduction to Methane on Transition-Metal Catalysts
Peterson, A. A., & Nørskov, J. K. (2012) · The Journal of Physical Chemistry Letters · doi:10.1021/jz201461p · Cited by 1,667
Self-citationAqueous CO 2 Reduction at Very Low Overpotential on Oxide-Derived Au Nanoparticles
Chen, Y., Li, C. W., & Kanan, M. W. (2012) · Journal of the American Chemical Society · doi:10.1021/ja309317u · Cited by 1,661
Ionic Liquid–Mediated Selective Conversion of CO 2 to CO at Low Overpotentials
Rosen, B. A., Salehi-Khojin, A., Thorson, M. R., Zhu, W., Whipple, D. T., Kenis, P. J. A., & Masel, R. I. (2011) · Science · doi:10.1126/science.1209786 · Cited by 1,558
A review of the aqueous electrochemical reduction of CO2 to hydrocarbons at copper
Gattrell, M., Gupta, N., & Co, A. C. (2006) · Journal of Electroanalytical Chemistry · doi:10.1016/j.jelechem.2006.05.013 · Cited by 1,482
Wellendorff, J., Lundgaard, K. T., Møgelhøj, A., Petzold, V., Landis, D. D., Nørskov, J. K., Bligaard, T., & Jacobsen, K. W. (2012) · Physical Review B · doi:10.1103/physrevb.85.235149 · Cited by 1,471
Self-citationVan der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
Thonhauser, T., Cooper, V. R., Shen, L., Puzder, A., Hyldgaard, P., & Langreth, D. C. (2007) · Physical Review B · doi:10.1103/physrevb.76.125112 · Cited by 1,237
Selectivity of CO 2 Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps
Nie, X., Esopi, M. R., Janik, M. J., & Asthagiri, A. (2013) · Angewandte Chemie International Edition · doi:10.1002/anie.201208320 · Cited by 946
Theoretical Considerations on the Electroreduction of CO to C 2 Species on Cu(100) Electrodes
Calle‐Vallejo, F., & Koper, M. T. M. (2013) · Angewandte Chemie International Edition · doi:10.1002/anie.201301470 · Cited by 941
Topsøe, H., Clausen, B. S., & Massoth, F. E. (1996) · Springer eBooks · doi:10.1007/978-3-642-61040-0_1 · Cited by 847
Tuning the MoS 2 Edge-Site Activity for Hydrogen Evolution via Support Interactions
Tsai, C., Abild-Pedersen, F., & Nørskov, J. K. (2014) · Nano Letters · doi:10.1021/nl404444k · Cited by 760
Self-citationLauritsen, J. V., Kibsgaard, J., Olesen, G. H., Moses, P. G., Hinnemann, B., Helveg, S., Nørskov, J. K., Clausen, B. S., Topsøe, H., Lægsgaard, E., et al. (2007) · Journal of Catalysis · doi:10.1016/j.jcat.2007.04.013 · Cited by 515
Self-citationTrends in electrochemical CO2 reduction activity for open and close-packed metal surfaces
Shi, C., Hansen, H. A., Lausche, A. C., & Nørskov, J. K. (2014) · Physical Chemistry Chemical Physics · doi:10.1039/c3cp54822h · Cited by 465
Self-citationInsights into CC Coupling in CO 2 Electroreduction on Copper Electrodes
Montoya, J. H., Peterson, A. A., & Nørskov, J. K. (2013) · ChemCatChem · doi:10.1002/cctc.201200564 · Cited by 443
Self-citationAtomic and electronic structure of MoS2 nanoparticles
Bollinger, M. V., Jacobsen, K. W., & Nørskov, J. K. (2003) · Physical review. B, Condensed matter · doi:10.1103/physrevb.67.085410 · Cited by 398
Self-citationBesenbacher, F., Brorson, M., Clausen, B., Helveg, S., Hinnemann, B., Kibsgaard, J., Lauritsen, J. V., Moses, P. G., Nørskov, J. K., & Topsøe, H. (2007) · Catalysis Today · doi:10.1016/j.cattod.2007.08.009 · Cited by 302
Self-citationBrixner, L. H. (1962) · Journal of Inorganic and Nuclear Chemistry · doi:10.1016/0022-1902(62)80178-x · Cited by 281
Seshadri, G., Lin, C., & Bocarsly, A. B. (1994) · Journal of Electroanalytical Chemistry · doi:10.1016/0022-0728(94)03300-5 · Cited by 268
Extending the Carbon Chain: Hydrocarbon Formation Catalyzed by Vanadium/Molybdenum Nitrogenases
Hu, Y., Lee, C. C., & Ribbe, M. W. (2011) · Science · doi:10.1126/science.1206883 · Cited by 250
Theoretical Considerations on the Electroreduction of CO to C2 Species on Cu(100) Electrodes
Calle‐Vallejo, F., & Koper, M. T. M. (2013) · Angewandte Chemie · doi:10.1002/ange.201301470 · Cited by 244
Cyclic Voltammograms for H on Pt(111) and Pt(100) from First Principles
Karlberg, G. S., Jaramillo, T. F., Skúlason, E., Rossmeisl, J., Bligaard, T., & Nørskov, J. K. (2007) · Physical Review Letters · doi:10.1103/physrevlett.99.126101 · Cited by 230
Self-citationSelectivity of CO2 Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps
Nie, X., Esopi, M. R., Janik, M. J., & Asthagiri, A. (2013) · Angewandte Chemie · doi:10.1002/ange.201208320 · Cited by 213
Promoter Sensitive Shapes of Co(Ni)MoS Nanocatalysts in Sulfo-Reductive Conditions
Schweiger, H., Raybaud, P., & Toulhoat, H. (2002) · Journal of Catalysis · doi:10.1006/jcat.2002.3737 · Cited by 193
Theoretical Insights into Pyridinium-Based Photoelectrocatalytic Reduction of CO2
Keith, J. A., & Carter, E. A. (2012) · Journal of the American Chemical Society · doi:10.1021/ja300128e · Cited by 174
Berhault, G., la Rosa, M. P. D., Mehta, A., Yacamán, M. J., & Chianelli, R. R. (2008) · Applied Catalysis A General · doi:10.1016/j.apcata.2008.04.034 · Cited by 162
pH in atomic scale simulations of electrochemical interfaces
Rossmeisl, J., Chan, K., Ahmed, R., Tripković, V., & Björketun, M. E. (2013) · Physical Chemistry Chemical Physics · doi:10.1039/c3cp51083b · Cited by 150
Self-citationKibsgaard, J., Tuxen, A., Knudsen, K. G., Brorson, M., Topsøe, H., Lægsgaard, E., Lauritsen, J. V., & Besenbacher, F. (2010) · Journal of Catalysis · doi:10.1016/j.jcat.2010.03.018 · Cited by 132
Yang, Z., Moure, V. R., Dean, D. R., & Seefeldt, L. C. (2012) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1213159109 · Cited by 112
Lattice parameter measurements on molybdenum disulphide
Young, P. A. (1968) · Journal of Physics D Applied Physics · doi:10.1088/0022-3727/1/7/416 · Cited by 90
Ni–Fe–S Cubanes in CO2 Reduction Electrocatalysis: A DFT Study
Varley, J. B., Hansen, H. A., Ammitzboll, N. L., Grabow, L. C., Peterson, A. A., Rossmeisl, J., & Nørskov, J. K. (2013) · ACS Catalysis · doi:10.1021/cs4005419 · Cited by 76
Self-citationFirst‐Principles Calculations of Fischer–Tropsch Processes Catalyzed by Nitrogenase Enzymes
Varley, J. B., & Nørskov, J. K. (2012) · ChemCatChem · doi:10.1002/cctc.201200635 · Cited by 17
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Jin, H., Guo, C., Liu, X., Liu, J., Vasileff, A., Jiao, Y., Zheng, Y., & Qiao, S. (2018) · Chemical Reviews · doi:10.1021/acs.chemrev.7b00689 · Cited by 2,039
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Metadata
- Authors
- Chan, K., Tsai, C., Hansen, H. A., & Nørskov, J. K.
- Affiliations
- Stanford University (US)
- SLAC National Accelerator Laboratory (US)
- Corresponding author
- Nørskov, Jens K.
- Venue
- ChemCatChem
- Publisher
- Wiley
- Published
- 2014-07
- Volume
- 6
- Issue
- 7
- Pages
- 1899-1905
- ISSN
- 1867-3880 (ISSN-L)
- 1867-3899
- OpenAlex
- W2023137992
- Cited by
- 311
- References
- 44
- Citations by year
- 2026: 16 · 2025: 16 · 2024: 23 · 2023: 29 · 2022: 36 · 2021: 36 · 2020: 32 · 2019: 40 · 2018: 27 · 2017: 17 · 2016: 18 · 2015: 13 · 2014: 7
- FWCI
- 6.05
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- ChemCatChem (publishedVersion)
- Funders
- National Science Foundation
- Multidisciplinary University Research Initiative
- Air Force Office of Scientific Research
- Topics
- Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › CO2 Reduction Techniques and Catalysts
- Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › Electrocatalysts for Energy Conversion
- Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › Advanced Photocatalysis Techniques
- Keywords
- CO2 reduction, molybdenum sulfide, molybdenum selenide, transition metal dichalcogenides, edge sites, electrocatalysts, scaling laws, reaction intermediates
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