Computational exploration of magnesium-decorated carbon nitride (g-C3N4) monolayer as advanced energy storage materials
作者： Peng Gao , Ji-wen Li , Jie Zhang , Guangzhao Wang , None
DOI: 10.1016/J.IJHYDENE.2021.04.049
关键词:
摘要: … The optimised configuration of the gC 3 N 4 monolayer with one Mg atom added in the … 3 N 4 monolayer via calculations of DOS. The pristine monolayer was originally semiconducting, …
researchgate.net 
sci-hub.st 参考文章(40)
F Richard, R Bader, Atoms in molecules : a quantum theory Clarendon Press. ,(1990)
Andreas Z�ttel, Hydrogen storage methods. Naturwissenschaften. ,vol. 91, pp. 157- 172 ,(2004) , 10.1007/S00114-004-0516-X
P. E. Blöchl, Projector augmented-wave method Physical Review B. ,vol. 50, pp. 17953- 17979 ,(1994) , 10.1103/PHYSREVB.50.17953
Daniel Teichmann, Katharina Stark, Karsten Müller, Gregor Zöttl, Peter Wasserscheid, Wolfgang Arlt, Energy storage in residential and commercial buildings via Liquid Organic Hydrogen Carriers (LOHC) Energy and Environmental Science. ,vol. 5, pp. 9044- 9054 ,(2012) , 10.1039/C2EE22070A
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
James R. Holst, Edward G. Gillan, From triazines to heptazines: deciphering the local structure of amorphous nitrogen-rich carbon nitride materials. Journal of the American Chemical Society. ,vol. 130, pp. 7373- 7379 ,(2008) , 10.1021/JA709992S
Patrick G. Campbell, Lev N. Zakharov, Daniel J. Grant, David A. Dixon, Shih-Yuan Liu, Hydrogen storage by boron-nitrogen heterocycles: a simple route for spent fuel regeneration. Journal of the American Chemical Society. ,vol. 132, pp. 3289- 3291 ,(2010) , 10.1021/JA9106622
A. Züttel, P. Wenger, S. Rentsch, P. Sudan, Ph. Mauron, Ch. Emmenegger, LiBH4 a new hydrogen storage material Journal of Power Sources. ,vol. 118, pp. 1- 7 ,(2003) , 10.1016/S0378-7753(03)00054-5
Borislav Bogdanović, Manfred Schwickardi, Ti-doped alkali metal aluminium hydrides as potential novel reversible hydrogen storage materials Journal of Alloys and Compounds. ,vol. 253, pp. 1- 9 ,(1997) , 10.1016/S0925-8388(96)03049-6
John P. Perdew, Yue Wang, Pair-distribution function and its coupling-constant average for the spin-polarized electron gas Physical Review B. ,vol. 46, pp. 12947- 12954 ,(1992) , 10.1103/PHYSREVB.46.12947