Group-VIII transition metal boride as promising hydrogen evolution reaction catalysts

Physical Chemistry Chemical Physics : PCCP
Guang-Feng WeiZhi-Pan Liu

Abstract

Searching for alternative catalysts for hydrogen evolution reaction (HER) under acidic conditions has been a major challenge in chemistry. Herein, we demonstrate that it is now feasible to identify unprecedented transition metal boride phases that are both stable and active for HER via stochastic global potential energy surface scanning. We show that B alloying alters the most stable crystal phase from face-centered (fcc) to hexagonal close packing (hcp) for both Pd and Rh. In particular, Pd2B, the thermodynamically most stable Pd boride with the highest B content, is predicted to exhibit an ultra-high intrinsic HER activity, ∼2 orders of magnitude higher than that of Pt nanoparticles at 0 V vs. NHE. The group VIII transition metal boride thus represents a promising HER catalyst to replace conventional Pt catalysts.

References

Dec 15, 1994·Physical Review. B, Condensed Matter·P E Blöchl
Jan 15, 1991·Physical Review. B, Condensed Matter·N Troullier, J L Martins
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Aug 26, 2004·Journal of the American Chemical Society·Zhi-Pan LiuDavid A King
Dec 3, 2005·Proceedings of the National Academy of Sciences of the United States of America·E Charles H SykesPaul S Weiss
Jun 3, 2006·Science·Jens K Norskov, Claus H Christensen
Feb 21, 2007·Nature Materials·Vojislav R StamenkovicNenad M Markovic
Dec 8, 2010·Journal of the American Chemical Society·Ya-Hui Fang, Zhi-Pan Liu
May 26, 2011·Journal of the American Chemical Society·Cheng Shang, Zhi-Pan Liu
Feb 11, 2012·Science·Hemamala I KarunadasaChristopher J Chang
Mar 12, 2013·Journal of Chemical Theory and Computation·Cheng Shang, Zhi-Pan Liu
Dec 10, 2013·Journal of Chemical Theory and Computation·Xiao-Jie ZhangZhi-Pan Liu
Feb 14, 2017·Nature Nanotechnology·Javeed MahmoodJong-Beom Baek
Apr 22, 2017·Nature Communications·Charlie TsaiFrank Abild-Pedersen
Oct 27, 2017·Journal of the American Chemical Society·Guoqing LiLinyou Cao
Feb 1, 2015·Chemical Science·Guang-Feng Wei, Zhi-Pan Liu

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Citations

Jun 16, 2021·Chemistry : a European Journal·Ding ChenShichun Mu

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