Effect of the external electric field on surface states: Anab initiostudy

2011 ◽  
Vol 84 (7) ◽  
Author(s):  
P. A. Ignatiev ◽  
V. S. Stepanyuk
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Surface States

X-ray Investigations of the Surface Layers of the Perovskite-Type Ferroelectric Crystals

1998 ◽  
Vol 05 (01) ◽  
pp. 409-412 ◽  
Author(s):  
Z. Surowiak ◽  
P. Wawrzała ◽  
V. P. Dudkevich
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Surface States ◽  
Physical Nature ◽  
Surface Layers ◽  
X Ray ◽  
Nonlinear Potential ◽  
Schottky Type ◽  
Layer Increase ◽  
Perovskite Type

The physical nature of surface layers of the BaTiO 3 and PbTiO 3 ferroelectric perovskite-type crystals has been investigated by X-ray diffraction. It has been found that the surface layers with an extremely high piezoelectric deformation are formed at the positive electrode at room temperature under the influence of the dc electric field, This effect is caused by a nonlinear potential distribution, The thickness and the piezoelectric deformation of the surface layer increase with the external electric field, The time of formation of the negative space charge layer in the anodic region is close to the Maxwell relaxation time. The Schottky-type surface potential barrier, existing in the absence of the external electric field, is formed as a result of capture of the electric charge carriers by the surface states.

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.

Structure and Reactivity of Selected Pyrimidine and Purine Bases in the External Electric Field

2019 ◽  
Vol 8 (4) ◽  
pp. 263-278
Author(s):  
Józef Mazurkiewicz ◽  
Piotr Tomasik ◽  
Wojciech Ciesielski
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Purine Bases
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