Research Progress of External Electric Field Regulating TMDCs and Its Heterojunction Energy Band

2021 ◽  
Vol 10 (01) ◽  
pp. 9-14
Author(s):  
贝 高
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Energy Band ◽  
Research Progress

Electronic structure and optical properties of novel monolayer gallium nitride and boron phosphide heterobilayers

2018 ◽  
Vol 20 (44) ◽  
pp. 28124-28134 ◽  
Author(s):  
A. Mogulkoc ◽  
Y. Mogulkoc ◽  
M. Modarresi ◽  
B. Alkan
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Gallium Nitride ◽  
Electric Field ◽  
Band Gap ◽  
External Electric Field ◽  
Charge Distribution ◽  
Energy Band ◽  
Energy Band Gap ◽  
Boron Phosphide

An external electric field modifies the electronic structure, charge distribution and energy band gap in the heterobilayer of gallium nitride/boron phosphide.

scholarly journals Some properties of germanene when adsorption of NH3 in the external field

2021 ◽  
Vol 2070 (1) ◽  
pp. 012005
Author(s):  
Hoang Van Ngoc
Keyword(s):  
Band Structure ◽  
Electric Field ◽  
External Electric Field ◽  
Energy Band ◽  
Density Functional ◽  
Energy Band Structure ◽  
The State ◽  
Optimal Position ◽  
Charge Displacement ◽  
Bridge Position

Abstract This work studies on germanene when adsorbing NH3 gas, the system is placed in an 0 external electric field of 0.3 V / AÅ. By using the density functional theory (DFT) and VASP software, the properties of the energy band structure, the density of the state, and the charge displacement have been studied. There are four locations in which NH3 doped research is hollow, bridge, valley, and top. At the bridge position for the minimum adsorption energy, this indicates that the bridge position is the most optimal position when doped with NH3. The state density energy region structure, the charge displacement will be studied for the most optimal position. Placing the system in an external electric field will change the energy band structure as well as other properties of the NH3 doped germanene. This study will be useful for all steps of research in sensor or biomedical.

scholarly journals Doping two boron atoms in germanene nanoribbons in an external electric field

2021 ◽  
Vol 2070 (1) ◽  
pp. 012130
Author(s):  
Hoang Van Ngoc ◽  
Trieu Quynh Trang ◽  
Air Xayyadeth ◽  
Chu Viet Ha
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Energy Band ◽  
Density Functional ◽  
Unit Cell ◽  
Dimensional System ◽  
Hydrogen Atoms ◽  
Functional Theory ◽  
One Dimensional ◽  
Formation Energies

Abstract Germanene is a two-dimensional system made of germanium atoms, its configuration is hexagonal honeycomb. Germanene nanoribbons (GNRs) are one-dimensional systems made from germanene with hydrogen-modified edges. The GNRs configuration studied here consists of 12 germanium atoms and 4 hydrogen atoms per unit cell. This work investigated the doping of two boron atoms into the unit cell of GNRs. Changing the different doping sites produces different configurations, the configurations been studied as meta-configuration, para-configuration, and ortho-configuration. By using density functional theory (DFT), the formation energies, energy band structures, and density of states of the configurations are studied. The ortho-configuration for the formation energy is the smallest, so this configuration is the most stable. The appearance of an external electric field changes the band gap and the energy band structure of the system.

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

Density Functional Theory Study of Antioxidant Adsorption onto Single- Wall Boron Nitride Nanotubes: Design of New Antioxidant Delivery Systems

2019 ◽  
Vol 22 (7) ◽  
pp. 470-482
Author(s):  
Samereh Ghazanfary ◽  
Fatemeh Oroojalian ◽  
Rezvan Yazdian-Robati ◽  
Mehdi Dadmehr ◽  
Amirhossein Sahebkar
Keyword(s):  
Density Functional Theory ◽  
Boron Nitride ◽  
Vitamin C ◽  
Electric Field ◽  
External Electric Field ◽  
Lipoic Acid ◽  
Density Functional ◽  
Cell Interaction ◽  
Boron Nitride Nanotubes ◽  
Functional Theory

Background: Boron Nitride Nanotubes (BNNTs) have recently emerged as an interesting field of study, because they could be used for the realization of developed, integrated and compact nanostructures to be formulated. BNNTs with similar surface morphology, alternating B and N atoms completely substitute for C atoms in a graphitic-like sheet with nearly no alterations in atomic spacing, with uniformity in dispersion in the solution, and readily applicable in biomedical applications with no obvious toxicity. Also demonstrating a good cell interaction and cell targeting. Aim and Objective: With a purpose of increasing the field of BNNT for drug delivery, a theoretical investigation of the interaction of Melatonin, Vitamin C, Glutathione and lipoic acid antioxidants using (9, 0) zigzag BNNTs is shown using density functional theory. Methods: The geometries corresponding to Melatonin, Vitamin C, Glutathione and lipoic acid and BNNT with different lengths were individually optimized with the DMOL3 program at the LDA/ DNP (fine) level of theory. Results: In the presence of external electric field Melatonin, Vitamin C, Glutathione and lipoic acid could be absorbed considerably on BNNT with lengths 22 and 29 Å, as the adsorption energy values in the presence of external electric field are considerably increased. Conclusion: The external electric field is an appropriate technique for adsorbing and storing antioxidants on BNNTs. Moreover, it is believed that applying the external electric field may be a proper method for controlling release rate of drugs.

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