A unique pentagonal network structure of the NiS2 monolayer with high stability and a tunable bandgap.
作者： Chang-Tian Wang , Shixuan Du
DOI: 10.1039/D0CP00434K
关键词: Band gap 、 Electronic band structure 、 Density functional theory 、 Direct and indirect band gaps 、 Semiconductor 、 Monolayer 、 Molecular physics 、 Materials science 、 Ab initio quantum chemistry methods 、 Molecular dynamics
摘要: Two dimensional atomic crystals with pentagonal building blocks have attracted extensive interest in recent years for their fundamental significance and potential applications in …
rsc.org
sci-hub.se 参考文章(79)
R. L. Kautz, M. S. Dresselhaus, D. Adler, A. Linz, Electrical and Optical Properties of NiS2 Physical Review B. ,vol. 6, pp. 2078- 2082 ,(1972) , 10.1103/PHYSREVB.6.2078
Jianmin Zhang, Huiling Zheng, Ruilin Han, Xiaobo Du, Yu Yan, Tuning magnetic properties of CrS2 monolayer by doping transition metal and alkaline-earth atoms Journal of Alloys and Compounds. ,vol. 647, pp. 75- 81 ,(2015) , 10.1016/J.JALLCOM.2015.05.175
Nan Jiang, Qing Tang, Meili Sheng, Bo You, De-en Jiang, Yujie Sun, Nickel sulfides for electrocatalytic hydrogen evolution under alkaline conditions: a case study of crystalline NiS, NiS2, and Ni3S2 nanoparticles Catalysis Science & Technology. ,vol. 6, pp. 1077- 1084 ,(2016) , 10.1039/C5CY01111F
Yi Ding, Yanli Wang, Hydrogen-induced stabilization and tunable electronic structures of penta-silicene: a computational study Journal of Materials Chemistry C. ,vol. 3, pp. 11341- 11348 ,(2015) , 10.1039/C5TC02504D
Xinru Li, Ying Dai, Mengmeng Li, Wei Wei, Baibiao Huang, Stable Si-based pentagonal monolayers: high carrier mobilities and applications in photocatalytic water splitting Journal of Materials Chemistry. ,vol. 3, pp. 24055- 24063 ,(2015) , 10.1039/C5TA05770A
Jifeng Sun, Hongliang Shi, Theo Siegrist, David J. Singh, Electronic, transport, and optical properties of bulk and mono-layer PdSe2 Applied Physics Letters. ,vol. 107, pp. 153902- ,(2015) , 10.1063/1.4933302
Pere Miró, Mahdi Ghorbani-Asl, Thomas Heine, Two Dimensional Materials Beyond MoS2: Noble-Transition-Metal Dichalcogenides Angewandte Chemie International Edition. ,vol. 53, pp. 3015- 3018 ,(2014) , 10.1002/ANIE.201309280
Humberto R. Gutiérrez, Nestor Perea-López, Ana Laura Elías, Ayse Berkdemir, Bei Wang, Ruitao Lv, Florentino López-Urías, Vincent H. Crespi, Humberto Terrones, Mauricio Terrones, Extraordinary room-temperature photoluminescence in triangular WS2 monolayers. Nano Letters. ,vol. 13, pp. 3447- 3454 ,(2013) , 10.1021/NL3026357
Fengyu Li, Kaixiong Tu, Haijun Zhang, Zhongfang Chen, Flexible structural and electronic properties of a pentagonal B2C monolayer via external strain: a computational investigation Physical Chemistry Chemical Physics. ,vol. 17, pp. 24151- 24156 ,(2015) , 10.1039/C5CP03885E
P. E. Blöchl, Projector augmented-wave method Physical Review B. ,vol. 50, pp. 17953- 17979 ,(1994) , 10.1103/PHYSREVB.50.17953