A topological semimetal Li 2 CrN 2 sheet as a promising hydrogen storage material
Source abstract
Abstract
(4.4%), Li-decorated phosphorene (4.4%) and Li substituted BHNH sheet (3.16%). The hydrogen adsorption energy is found to be in the range of 0.16-0.33 eV, which is in the required energy window for balancing the adsorption stability and fast kinetics, and the releasing temperature is in the range of 160-270 K, desirable for practical operations. This study is of significance for fuel cell applications going beyond the conventional materials for hydrogen storage.
Source: openalex_inverted_index · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Hydrogen Storage and Materials · MXene and MAX Phase Materials · Boron and Carbon Nanomaterials Research
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Key Laboratory of Magnetic Molecules & Magnetic Information Materials Ministry of Education
and the School of Chemical and Material Science
Shanxi Normal University
Linfen
China
Department of Materials Science and Engineering
College of Engineering
Peking University
Beijing 100871
Funding
Ministry of Science and Technology of the People's Republic of China · National Natural Science Foundation of China
References (63)
Show source-provided references
1. Fu · Phys. Rev. Lett. · 2011 · 106 · 10680210.1103/PhysRevLett.106.106802 ↗
2. Slager · Nat. Phys. · 2013 · 9 · 9810.1038/nphys2513 ↗
3. Ando · Annu. Rev. Condens. Matter Phys. · 2015 · 6 · 36110.1146/annurev-conmatphys-031214-014501 ↗
4. Young · Phys. Rev. Lett. · 2012 · 108 · 14040510.1103/PhysRevLett.108.140405 ↗
5. Wang · Phys. Rev. B: Condens. Matter Mater. Phys. · 2012 · 85 · 19532010.1103/PhysRevB.85.195320 ↗
6. Wang · Phys. Rev. B: Condens. Matter Mater. Phys. · 2013 · 88 · 12542710.1103/PhysRevB.88.125427 ↗
7. Wan · Phys. Rev. B: Condens. Matter Mater. Phys. · 2011 · 83 · 20510110.1103/PhysRevB.83.205101 ↗
8. Weng · Phys. Rev. X · 2015 · 5 · 011029
9. Huang · Nat. Commun. · 2015 · 6 · 737310.1038/ncomms8373 ↗
10. Burkov · Phys. Rev. B: Condens. Matter Mater. Phys. · 2011 · 84 · 23512610.1103/PhysRevB.84.235126 ↗
11. Bzdušek · Nature · 2016 · 538 · 7510.1038/nature19099 ↗
12. Zhang · Nature · 2019 · 566 · 47510.1038/s41586-019-0944-6 ↗
13. Tang · Nature · 2019 · 566 · 48610.1038/s41586-019-0937-5 ↗
14. Vergniory · Nature · 2019 · 566 · 48010.1038/s41586-019-0954-4 ↗
15. Liu · Proc. Natl. Acad. Sci. U. S. A. · 2017 · 114 · 65110.1073/pnas.1618051114 ↗
16. Liu · Phys. Rev. Mater. · 2018 · 2 · 02540310.1103/PhysRevMaterials.2.025403 ↗
17. Qie · Phys. Rev. Mater. · 2018 · 2 · 08420110.1103/PhysRevMaterials.2.084201 ↗
18. Xie · J. Mater. Chem. A · 2019 · 7 · 1425310.1039/C9TA03587G ↗
19. Qie · J. Mater. Chem. A · 2019 · 7 · 573310.1039/C8TA11276B ↗
20. Li · J. Phys. Chem. Lett. · 2019 · 10 · 636010.1021/acs.jpclett.9b02484 ↗
21. Chen · Phys. Rev. Lett. · 2010 · 105 · 26640110.1103/PhysRevLett.105.266401 ↗
22. Zhang · Phys. Rev. B: Condens. Matter Mater. Phys. · 2010 · 82 · 24510710.1103/PhysRevB.82.245107 ↗
23. Tang · J. Phys. Chem. C · 2019 · 123 · 283710.1021/acs.jpcc.8b08871 ↗
24. Oberoi · Int. J. Smart Grid Clean Energy · 2014 · 3 · 270
25. Ebrahimian · Front. Phys. · 2018 · 13 · 13730910.1007/s11467-018-0815-x ↗
26. Sun · J. Am. Chem. Soc. · 2006 · 128 · 974110.1021/ja058330c ↗
27. Sun · Appl. Phys. Lett. · 2009 · 94 · 01311110.1063/1.3058678 ↗
28. Zhou · J. Phys. Chem. C · 2011 · 115 · 613610.1021/jp1110778 ↗
29. Jena · J. Phys. Chem. Lett. · 2011 · 2 · 20610.1021/jz1015372 ↗
30. Kresse · Phys. Rev. B: Condens. Matter Mater. Phys. · 1996 · 54 · 1116910.1103/PhysRevB.54.11169 ↗
31. Perdew · Phys. Rev. Lett. · 1996 · 77 · 386510.1103/PhysRevLett.77.3865 ↗
32. Tkatchenko · Phys. Rev. Lett. · 2009 · 102 · 07300510.1103/PhysRevLett.102.073005 ↗
33. Grimme · J. Comput. Chem. · 2006 · 27 · 178710.1002/jcc.20495 ↗
34. Wang · J. Appl. Phys. · 2013 · 113 · 6430910.1063/1.4790868 ↗
35. Banerjee · Int. J. Hydrogen Energy · 2016 · 41 · 1443710.1016/j.ijhydene.2016.02.113 ↗
36. Zhang · J. Mater. Chem. A · 2015 · 3 · 963210.1039/C5TA01052G ↗
37. Putungan · Phys. Chem. Chem. Phys. · 2015 · 17 · 1136710.1039/C5CP00977D ↗
38. Yu · J. Appl. Phys. · 2016 · 120 · 02430510.1063/1.4958695 ↗
39. Li · J. Phys. D: Appl. Phys. · 2014 · 47 · 46530210.1088/0022-3727/47/46/465302 ↗
40. Hashmi · J. Mater. Chem. A · 2017 · 5 · 282110.1039/C6TA08924K ↗
41. Hussain · Phys. Chem. Chem. Phys. · 2013 · 15 · 1890010.1039/c3cp52830h ↗
42. Long · Appl. Surf. Sci. · 2018 · 435 · 106510.1016/j.apsusc.2017.10.196 ↗
43. Wang · Appl. Surf. Sci. · 2018 · 427 · 103010.1016/j.apsusc.2017.08.126 ↗
44. Kumar · J. Mater. Chem. A · 2015 · 3 · 30410.1039/C4TA04706K ↗
45. Blööchl · Phys. Rev. B: Condens. Matter Mater. Phys. · 1994 · 50 · 1795310.1103/PhysRevB.50.17953 ↗
46. Baroni · Rev. Mod. Phys. · 2001 · 73 · 51510.1103/RevModPhys.73.515 ↗
47. Togo · Phys. Rev. B: Condens. Matter Mater. Phys. · 2008 · 78 · 13410610.1103/PhysRevB.78.134106 ↗
48. Martyna · J. Chem. Phys. · 1992 · 97 · 263510.1063/1.463940 ↗
49. Ataca · Appl. Phys. Lett. · 2008 · 93 · 04312310.1063/1.2963976 ↗
50. Tang · J. Phys.: Condens. Matter · 2009 · 21 · 084204
51. Henkelman · Comput. Mater. Sci. · 2006 · 36 · 35410.1016/j.commatsci.2005.04.010 ↗
52. Zhu · Mater. Chem. Phys. · 2019 · 236 · 12172510.1016/j.matchemphys.2019.121725 ↗
53. Casini · Int. J. Hydrogen Energy · 2016 · 41 · 1702210.1016/j.ijhydene.2016.07.107 ↗
54. Zhao · Int. J. Hydrogen Energy · 2016 · 41 · 346510.1016/j.ijhydene.2015.12.167 ↗
55. Molefe · Front. Chem. · 2019 · 7 · 86410.3389/fchem.2019.00864 ↗
56. Wang · Int. J. Hydrogen Energy · 2019 · 44 · 2886310.1016/j.ijhydene.2019.09.110 ↗
57. Becke · J. Chem. Phys. · 1993 · 98 · 137210.1063/1.464304 ↗
58. DOE targets for onboard hydrogen storage systems for light-duty vehicles: http://www1.eere.energy.gov/hydrogenandfuelcells/storage/pdfs/targets_onboard_hydro_storage.pdf
59. Paramita · J. Chem. Phys. · 2016 · 469–470 · 123
60. Yildirim · Phys. Rev. Lett. · 2005 · 94 · 17550110.1103/PhysRevLett.94.175501 ↗
61. Wang · Int. J. Hydrogen Energy · 2016 · 41 · 527610.1016/j.ijhydene.2016.01.039 ↗
62. M. W. Chase , NIST-JANAF thermochemical tables , J. Chase, Phys. Chem. Ref. Data , 4th edn, 1998 , p. 1310
63. Bhattacharya · J. Phys. Chem. C · 2012 · 116 · 384010.1021/jp210355n ↗