The DOI matches its Crossref record; 5 of the 5 references it cites were found in a registry or an index.
Two-Dimensional MXenes as Catalysts for Electrochemical Hydrogen Evolution: A Computational Screening Study
Open accessAbstract
We use density functional theory calculations to explore different polymorphs of a new class of 2D materials commonly known as MXenes, which are primarily carbides and nitrides of transition metals. The stability of the M 2 X, M 3 X 2, and M 4 X 3 polymorphs in their bare and functionalized forms is assessed via the calculated standard heat of formation. We find that most of the MXenes are metallic, and we investigate their performance as electrocatalysts for the hydrogen evolution reaction (HER) using the free energy of hydrogen adsorption at equilibrium coverage as an activity descriptor. For a given type of metal, we find that the hydrogen adsorption energy can vary by up to 0.5 eV depending on the number of metal layers in the structure, suggesting that the catalytic activity of MXenes can be tuned by controlling the layer thickness. On the basis of a combined stability and activity analysis of 72 different MXenes, we identify several new promising nonprecious HER electrocatalysts.
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Cites
Computational high-throughput screening of electrocatalytic materials for hydrogen evolution
Greeley, J., Jaramillo, T. F., Bonde, J., Chorkendorff, I., & Nørskov, J. K. (2006) · Nature Materials · doi:10.1038/nmat1752 · Cited by 4,097
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
Enhanced catalytic activity in strained chemically exfoliated WS2 nanosheets for hydrogen evolution
Voiry, D., Yamaguchi, H., Li, J., Silva, R., Alves, D. C. B., Fujita, T., Chen, M., Asefa, T., Shenoy, V. B., Eda, G., et al. (2013) · Nature Materials · doi:10.1038/nmat3700 · Cited by 2,641
Two-Dimensional Molybdenum Carbide (MXene) as an Efficient Electrocatalyst for Hydrogen Evolution
Seh, Z. W., Fredrickson, K. D., Anasori, B., Kibsgaard, J., Strickler, A. L., Lukatskaya, M. R., Gogotsi, Y., Jaramillo, T. F., & Vojvodic, A. (2016) · ACS Energy Letters · doi:10.1021/acsenergylett.6b00247 · Cited by 1,482
Wang, H., Lu, Z., Kong, D., Sun, J., Hymel, T. M., & Cui, Y. (2014) · ACS Nano · doi:10.1021/nn500959v · Cited by 611
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Rational Design of Better Hydrogen Evolution Electrocatalysts for Water Splitting: A Review
Liu, F., Shi, C., Guo, X., He, Z., Pan, L., Huang, Z., Zhang, X., & Zou, J. (2022) · Advanced Science · doi:10.1002/advs.202200307 · Cited by 455
Oxygen‐Functionalized Ultrathin Ti 3 C 2 T x MXene for Enhanced Electrocatalytic Hydrogen Evolution
Jiang, Y., Sun, T., Xie, X., Jiang, W., Li, J., Tian, B., & Su, C. (2019) · ChemSusChem · doi:10.1002/cssc.201803032 · Cited by 367
Theoretical Advances in Understanding and Designing the Active Sites for Hydrogen Evolution Reaction
Sun, F., Tang, Q., & Jiang, D.-E. (2022) · ACS Catalysis · doi:10.1021/acscatal.2c02081 · Cited by 285
Heterostructures of MXenes and N-doped graphene as highly active bifunctional electrocatalysts
Zhou, S., Yang, X., Pei, W., Liu, N., & Zhao, J. (2018) · Nanoscale · doi:10.1039/c8nr01090k · Cited by 282
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Metadata
- Authors
- Pandey, M., & Thygesen, K. S.
- Venue
- The Journal of Physical Chemistry C
- Publisher
- American Chemical Society (ACS)
- Published
- 2017-06-21
- Volume
- 121
- Issue
- 25
- Pages
- 13593-13598
- ISSN
- 1932-7447 (ISSN-L)
- 1932-7455
- OpenAlex
- W2626565042
- Cited by
- 259
- References
- 5
- FWCI
- 5.69
- Type
- journal article
- Language
- en
- Open access
- green
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