scholarly journals Enhanced H2 Storage Capacity of Bilayer Hexagonal Boron Nitride (h-BN) Incorporating van der Waals Interaction under an Applied External Electric Field

ACS Omega ◽  
2021 ◽  
Author(s):  
Bhanu Chettri ◽  
Prasanta Kumar Patra ◽  
Sunita Srivastava ◽  
Amel Laref ◽  
Dibya Prakash Rai
Keyword(s):  
Boron Nitride ◽  
Electric Field ◽  
External Electric Field ◽  
Storage Capacity ◽  
Hexagonal Boron Nitride ◽  
Van Der Waals ◽  
Van Der Waals Interaction

Tuning Electronic and Structural Properties of Triple Layers of Intercalated Graphene and Hexagonal Boron Nitride: An Ab-initio Study.

2011 ◽  
Vol 1307 ◽  
Author(s):  
Samir S. Coutinho ◽  
David L. Azevedo ◽  
Douglas S. Galvão
Keyword(s):  
Boron Nitride ◽  
Electric Field ◽  
Ab Initio ◽  
Band Gap ◽  
External Electric Field ◽  
Structural Properties ◽  
Density Functional ◽  
Hexagonal Boron Nitride ◽  
Electronic And Structural Properties ◽  
Gap Values

ABSTRACTRecently, several experiments and theoretical studies demonstrated the possibility of tuning or modulating band gap values of nanostructures composed of bi-layer graphene, bi-layer hexagonal boron-nitride (BN) and hetero-layer combinations. These triple layers systems present several possibilities of stacking. In this work we report an ab initio (within the formalism of density functional theory (DFT)) study of structural and electronic properties of some of these stacked configurations. We observe that an applied external electric field can alter the electronic and structural properties of these systems. With the same value of the applied electric field the band gap values can be increased or decreased, depending on the layer stacking sequences. Strong geometrical deformations were observed. These results show that the application of an external electric field perpendicular to the stacked layers can effectively be used to modulate their inter-layer distances and/or their band gap values.

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.

Synthesis of hexagonal boron nitride heterostructures for 2D van der Waals electronics

2018 ◽  
Vol 47 (16) ◽  
pp. 6342-6369 ◽  
Author(s):  
Ki Kang Kim ◽  
Hyun Seok Lee ◽  
Young Hee Lee
Keyword(s):  
Boron Nitride ◽  
Surface Area ◽  
Hexagonal Boron Nitride ◽  
Van Der Waals ◽  
Large Surface Area ◽  
Van Der Waals Heterostructures

The construction of large surface area hexagonal boron nitride for van der Waals heterostructures and 2D-layered electronics is reviewed.

scholarly journals Терагерцовые дисперсия и усиление при стриминге электронов в графене при 300 K

2020 ◽  
Vol 54 (9) ◽  
pp. 888
Author(s):  
А.А. Андронов ◽  
В.И. Позднякова
Keyword(s):  
Boron Nitride ◽  
Electric Field ◽  
Terahertz Radiation ◽  
High Resistance ◽  
Applied Voltage ◽  
Momentum Space ◽  
Hexagonal Boron Nitride ◽  
Strong Electric Field ◽  
Microwave Generator ◽  
Time Frequency

Abstract We interpret the recent observations of Otsuji’s team (Sendai) on switching from absorption to amplification at a temperature of T = 300 K during the passage of terahertz radiation through hexagonal boron nitride–graphene sandwiches with multiple gates on the surface with an increase in the electric field in graphene. It is shown that these effects are related to dispersion and negative conductivity near the transit-time frequency of electrons in momentum space under streaming (anisotropic distribution) in graphene in a strong electric field. On the basis of these data, a universal tunable terahertz source is proposed, which has the form of a graphene-containing sandwich with a high-resistance silicon wafer (a cavity) with an applied voltage. This terahertz cavity is a complete analog of the microwave generator implemented on an InP chip by Vorobev’s team (St. Petersburg).

(Invited) ALD of Hexagonal Boron Nitride: Towards h-BN/Carbon Van Der Waals 1D Heterostructures

2021 ◽  
Vol MA2021-02 (29) ◽  
pp. 902-902
Author(s):  
Catherine Marichy ◽  
Wenjun Hao ◽  
Catherine Journet
Keyword(s):  
Boron Nitride ◽  
Hexagonal Boron Nitride ◽  
Van Der Waals
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