doping position
Recently Published Documents


TOTAL DOCUMENTS

20
(FIVE YEARS 0)

H-INDEX

6
(FIVE YEARS 0)

2020 ◽  
Vol 25 ◽  
pp. 101549
Author(s):  
Deming Ma ◽  
Junni Cheng ◽  
Jinlong Zhang ◽  
Yanyan Cao ◽  
Enling Li


2020 ◽  
Vol 137 ◽  
pp. 109208 ◽  
Author(s):  
Jingfeng Wang ◽  
Fei Jiao ◽  
Di Zhang ◽  
Meixia Chang ◽  
Lingbo Cai ◽  
...  


2019 ◽  
Vol 32 (11) ◽  
pp. 115017 ◽  
Author(s):  
Nobuya Banno ◽  
Taro Morita ◽  
Zhou Yu ◽  
Tsuyoshi Yagai ◽  
Kyoji Tachikawa


Molecules ◽  
2019 ◽  
Vol 24 (12) ◽  
pp. 2285 ◽  
Author(s):  
Peng Xi ◽  
Ruixin Ma ◽  
Wenli Liu

To investigate the effect of carbon defects on the hydrophilicity of the whole surface of the coal pyrite, the adsorption of the single H2O molecule at different sites of the coal pyrite surface was studied with the DFT calculation. It was found that, like the ideal pyrite, the single H2O molecule can stably adsorb at the doping-position, the ortho-position and the meta-position of the coal pyrite. The covalent bond and anti-bond were formed between O (water molecule) and Fe (the coal pyrite) through the Fe 3d orbital and O 2p orbital. Meanwhile, the S–H bond was replaced by the C–H bond. But away from the carbon defect centre, the adsorption of the single H2O molecule increased gradually and the Fe–O covalent bond strength between the single H2O molecule and the pyrite strengthened, which eventually became close to that of the undoped coal pyrite surface.







2015 ◽  
Vol 30 (3) ◽  
pp. 035006 ◽  
Author(s):  
Yeongho Kim ◽  
Keun-Yong Ban ◽  
Darius Kuciauskas ◽  
Patricia C Dippo ◽  
Christiana B Honsberg




2012 ◽  
Vol 25 (1) ◽  
pp. 106-112 ◽  
Author(s):  
Xiaomin Li ◽  
Dengke Shen ◽  
Jianping Yang ◽  
Chi Yao ◽  
Renchao Che ◽  
...  


Sign in / Sign up

Export Citation Format

Share Document