journal article·2024-10

Magnetic Co2Si monolayer with high performance hydrogen evolution reaction: a first-principle prediction

Lin Feng, Dongxun Han, Lin Xue, Lichun Xu, Lirong Wang

Applied Physics A· Volume 130· Issue 10
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Abstract

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OpenAlex topics: 2D Materials and Applications · Heusler alloys: electronic and magnetic properties · MXene and MAX Phase Materials

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References (29)

Show source-provided references
1. G.E. Halkos, E.C. Gkampoura, Reviewing usage, potentials, and limitations of renewable energy sources. Energies. 13, 2906 (2020)10.3390/en13112906 ↗
2. J. Chi, H.M. Yu, Water electrolysis based on renewable energy for hydrogen production. Chin. J. Catal. 39, 390 (2018)10.1016/S1872-2067(17)62949-8 ↗
3. M. Zeng, Y.G. Li, Recent advances in heterogeneous electrocatalysts for the hydrogen evolution reaction. J. Mater. Chem. A 3, 14942 (2015)10.1039/C5TA02974K ↗
4. L.R. Wang, Y. Yang, J.H. Wang, W. Liu, Y. Liu, J.L. Gong, G.D. Liu, X.T. Wang, Z.X. Cheng, X.M. Zhang, Excellent catalytic performance toward the hydrogen evolution reaction in topological semimetals, EcoMat. 5, e12316 (2023)10.1002/eom2.12316 ↗
5. C.R. Rajamathi, U. Gupta, N. Kumar, H. Yang, Y. Sun, V. Süss, C. Shekhar, M. Schmidt, H. Blumtritt, P. Werner, B.H. Yan, S. Parkin, C. Felser, C.N.R. Rao, Weyl semimetals as hydrogen evolution catalysts. Adv. Mater. 29, 1606202 (2017)10.1002/adma.201606202 ↗
6. Q.N. Xu, G.W. Li, Y. Zhang, Q. Yang, Y. Sun, C. Felser, Descriptor for hydrogen evolution catalysts based on the bulk band structure effect. ACS Catal. 10, 5042 (2020)10.1021/acscatal.9b05539 ↗
7. J. Li, J.Z. Wu, S.W. Park, M. Sasase, T.N. Ye, Y.F. Lu, M. Miyazaki, T. Yokoyama, T. Tada, M. Kitano, H. Hosono, Topological insulator as an efficient catalyst for oxidative carbonylation of amines. Sci. Adv. 9, eadh9104 (2023)10.1126/sciadv.adh9104 ↗
8. Y. Li, J.L. Gong, X.T. Wang, Multifold fermions boosted hydrogen evolution reaction catalysis in cubic palladium bronze LaPd3S4. Small Struct. 00175 (2024)10.1002/sstr.202400175 ↗
9. L.B. Zhan, C.L. Yang, M.S. Wang, X.G. Ma, Newfound two-dimensional Bi2Se3 monolayers for driving hydrogen evolution reaction with the visible-light. Appl. Surf. Sci. 564, 150389 (2021)10.1016/j.apsusc.2021.150389 ↗
10. W. Liu, X.M. Zhang, W.Z. Meng, Y. Liu, X.F. Dai, G.D. Liu, Theoretical realization of hybrid Weyl state and associated high catalytic performance for hydrogen evolution in NiSi, IScience 25, 103543 (2022)10.1016/j.isci.2021.103543 ↗
11. Q. Yang, G.W. Li, K. Manna, F.R. Fan, C. Felser, Y. Sun, Topological engineering of Pt-group-metal-based chiral crystals toward high-efficiency hydrogen evolution catalysts. Adv. Mater. 32, 1908518 (2020)10.1002/adma.201908518 ↗
12. J.X. Li, H. Ma, Q. Xie, S.B. Feng, S. Ullah, R.H. Li, J.H. Dong, D.Z. Li, Y.Y. Li, X.Q. Chen, Topological quantum catalyst: Dirac nodal line states and a potential electrocatalyst of hydrogen evolution in the TiSi family. Sci. China Mater. 61, 23 (2018)10.1007/s40843-017-9178-4 ↗
13. G.W. Li, C.G. Fu, W.J. Shi, L. Jiao, J.Q. Wu, Q. Yang, R. Saha, M.E. Kamminga, A.K. Srivastava, E.K. Liu, A.N. Yazdani, N. Kumar, J. Zhang, G.R. Blake, X.J. Liu, M. Fahlman, S. Wirth, G. Auffermann, J. Gooth, S. Parkin, V. Madhavan, X.L. Feng, Y. Sun, C. Felser, Dirac nodal arc semimetal PtSn4: an ideal platform for understanding surface properties and catalysis for hydrogen evolution. Angew Chem. Int. Edit. 58, 13107 (2019)10.1002/anie.201906109 ↗
14. Y. Shan, X.H. Sun, F.C. Liu, L.Z. Liu, Non-bonding electronic reconfiguration by surface engineering in Shandite A3M2S2 (A = Fe, Co; M = in, Sn) for hydrogen evolution reaction. Mater. Chem. Phys. 290, 126565 (2022)10.1016/j.matchemphys.2022.126565 ↗
15. L.R. Wang, X.M. Zhang, W.Z. Meng, Y. Liu, X.F. Dai, G.D. Liu, A topological quantum catalyst: the case of two-dimensional traversing nodal line states associated with high catalytic performance for the hydrogen evolution reaction. J. Mater. Chem. A 9, 22453 (2021)10.1039/D1TA06553J ↗
16. V. Mazanek, H. Nahdi, J. Luxa, Z. Sofer, M. Pumera, Electrochemistry of layered metal diborides. Nanoscale. 10, 11544 (2018)10.1039/C8NR02142B ↗
17. G. Kresse, J. Furthmüller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comp. Mater. Sci. 6, 15 (1996)10.1016/0927-0256(96)00008-0 ↗
18. A. Togo, F. Oba, I. Tanaka, First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures. Phys. Rev. B 78, 134106 (2008)10.1103/PhysRevB.78.134106 ↗
19. E. Wimmer, H. Krakauer, M. Weinert, A.J. Freeman, Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces: O2 molecule. Phys. Rev. B 24, 864 (1981)10.1103/PhysRevB.24.864 ↗
20. J.P. Perdew, K. Burke, M. Ernzerhof, Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865 (1996)10.1103/PhysRevLett.77.3865 ↗
21. G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758 (1999)10.1103/PhysRevB.59.1758 ↗
22. S. Grimme, J. Antony, S. Ehrlich, H. Krieg, A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. J. Chem. Phys. 132, 154104 (2010)10.1063/1.3382344 ↗
23. M.D. Qi, Q.Y. Hou, Y. Li, First principles study of the effect of (mg, C) doping and zn vacancies on the carrier activity, lifetime, visible light effect, and oxidation-reduction reaction of ZnO(001) monolayers. Appl. Surf. Sci. 616, 156477 (2023)10.1016/j.apsusc.2023.156477 ↗
24. J.H. Wang, T.T. Zhang, Q.W. Zhang, X. Cheng, W.H. Wang, S.F. Qian, Z.X. Cheng, G. Zhang, X.T. Wang, 3D carbon allotropes: topological quantum materials with obstructed atomic insulating phases, multiple bulk-boundary correspondences, and real topology. Adv. Funct. Mater. 34, 2316079 (2024)10.1002/adfm.202316079 ↗
25. J.L. Gong, Y. Wang, Y.L. Han, Z.X. Cheng, X.T. Wang, Z.M. Yu, Y.G. Yao, Hidden real topology and unusual magnetoelectric responses in two-dimensional antiferromagnets. Adv. Mater. 36, 2402232 (2024)10.1002/adma.202402232 ↗
26. B.J. Feng, B.T. Fu, S. Kasamatsu, S. Ito, P. Cheng, C.C. Liu, Y. Feng, S.L. Wu, S.K. Mahatha, P. Sheverdyaeva, P. Moras, M. Arita, O. Sugino, T.C. Chiang, K. Shimada, K. Miyamoto, T. Okuda, K.H. Wu, L. Chen, Y.G. Yao, I. Matsuda, Experimental realization of two-dimensional Dirac nodal line fermions in monolayer Cu2Si. Nat. Commun. 8, 1007 (2017)10.1038/s41467-017-01108-z ↗
27. M.Y. Tang, H.M. Shen, Y. Qie, H.H. Xie, Q. Sun, Edge-state-enhanced CO2 electroreduction on topological nodal-line semimetal Cu2Si nanoribbons. J. Phys. Chem. C 123, 2837 (2019)10.1021/acs.jpcc.8b08871 ↗
28. L.R. Wang, M. Zhao, J.H. Wang, Y. Liu, G.D. Liu, X.T. Wang, G. Zhang, X.M. Zhang, High-performance hydrogen evolution reaction catalysts in two-dimensional nodal line semimetals. ACS Appl. Mater. Inter. 15, 51225 (2023)10.1021/acsami.3c12316 ↗
29. Y. Yang, J.L. Gong, X.T. Wang, Z.X. Cheng, T. Yang, Unlocking quantum catalysis in topological trivial materials: a case study of janus monolayer MoSMg. Small Sci. 00160 (2024)10.1002/smsc.202400160 ↗