Adsorption and Catalytic Activation of O2 Molecule on the Surface of Au-Doped Graphene under an External Electric Field

2012 ◽  
Vol 116 (37) ◽  
pp. 19918-19924 ◽  
Author(s):  
Teng Zhang ◽  
Qingzhong Xue ◽  
Meixia Shan ◽  
Zhiyong Jiao ◽  
Xiaoyan Zhou ◽  
...  
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Catalytic Activation ◽  
Doped Graphene

Tuning the electronic and magnetic properties of Mn-doped graphene by gas adsorption and effect of external electric field: First-principles study

2019 ◽  
Vol 33 (16) ◽  
pp. 1950166
Author(s):  
Huan Ma ◽  
Ling Ma ◽  
Liang-Cai Ma
Keyword(s):  
Magnetic Properties ◽  
Electric Field ◽  
External Electric Field ◽  
Spin Polarization ◽  
First Principles ◽  
Density Functional ◽  
Gas Adsorption ◽  
Electronic And Magnetic Properties ◽  
Doped Graphene ◽  
Mn Doped

The effect of gas molecule (H2CO, NO, NO2, O2 and SO2) adsorption on the electronic and magnetic properties of Mn-doped graphene (MnG) is investigated by first-principles calculations in the framework of density functional theory (DFT). Our study reveals that after H2CO, NO, NO2 and SO2 adsorption, MnG transforms from half-metal to semiconductor, and this transformation indicates that MnG’s conductivity is changed significantly. Meanwhile, O2 adsorption has no influence on MnG’s original electronic property. Therefore, the substrate of MnG is highly sensitive to H2CO, NO, NO2 and SO2. The reconfiguration of electron distribution caused by gas adsorption dramatically alters the spin polarization distribution of the combined system, that is, NO2 and H2CO adsorption leads to local spin polarization, whereas O2, NO and SO2 adsorption result in complete spin polarization. In addition, the external electric field (E-field) is varied from −0.50 V/Å to +0.50 V/Å then applied to the adsorption system. A strong interaction is observed between gas and MnG with a positive E-field as reflected in the enhancement of adsorption energy. The interaction is obviously weakened by introducing the E-field in the negative direction. Hence, the adsorption strength and sensitivity of gas on MnG can be effectively tuned by the E-field. The results can serve as useful references for the design of graphene-based gas sensor.

Thermal stability of NO on Ga-doped graphene and effect of external electric field

2018 ◽  
Vol 151 ◽  
pp. 214-221 ◽  
Author(s):  
Xiongyi Liang ◽  
Siu-Pang Ng ◽  
Ning Ding ◽  
Chi-Man Lawrence Wu
Keyword(s):  
Thermal Stability ◽  
Electric Field ◽  
External Electric Field ◽  
Doped Graphene ◽  
Thermal Stability Of

Time-resolved X-ray reciprocal space mapping of the crystal under external electric field

2018 ◽  
Vol 189 (02) ◽  
pp. 187-194 ◽  
Author(s):  
Nikita V. Marchenkov ◽  
Anton G. Kulikov ◽  
Ivan I. Atknin ◽  
Arsen A. Petrenko ◽  
Alexander E. Blagov ◽  
...  
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Space Mapping ◽  
Reciprocal Space ◽  
Reciprocal Space Mapping ◽  
Time Resolved ◽  
X Ray

2D Few Cycle Optical Pulses in Silicene in the Presence of External Electric Field

2017 ◽  
Vol 9 (3) ◽  
pp. 03044-1-03044-3
Author(s):  
M. B. Belonenko ◽  
◽  
N. N. Konobeeva ◽  
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Optical Pulses
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