scholarly journals Цепочечная модель зигзагообразного контакта латеральных графеноподобных гетероструктур

2018 ◽  
Vol 44 (21) ◽  
pp. 55
Author(s):  
С.Ю. Давыдов
Keyword(s):  
Boron Nitride ◽  
Density Of States ◽  
Structural Model ◽  
Hexagonal Boron Nitride ◽  
Two Dimensional ◽  
Occupation Numbers ◽  
Densities Of States ◽  
Spectrum Density ◽  
Analytical Expressions ◽  
Good Agreement

AbstractA simple structural model is proposed for the zigzag interface formed by contacting two-dimensional graphene-like compounds AB and CD (both free and formed on a metal). For the graphene–hexagonal boron nitride system, analytical expressions for the electron spectrum, density of states, and atom occupation numbers at the interface are obtained. The results of calculating the densities of states and occupation numbers within two alternative approximations are in good agreement.

scholarly journals Кластерная модель латеральной графеноподобной гетероструктуры: оценки перехода заряда

2018 ◽  
Vol 60 (9) ◽  
pp. 1815
Author(s):  
С.Ю. Давыдов
Keyword(s):  
Charge Transfer ◽  
Boron Nitride ◽  
Cluster Model ◽  
Binary Compound ◽  
Metal Substrate ◽  
Two Dimensional ◽  
Occupation Numbers ◽  
Densities Of States ◽  
Local Densities ◽  
Analytical Expressions

AbstractA simple cluster model is proposed to describe zigzag and armchair contacts of graphene to a hexagonal two-dimensional binary compound adsorbed on a metal substrate. A graphene–boron nitride heterostructure (HS) is studied in detail. Analytical expressions are obtained for the local densities of states and the occupation numbers of contact atoms. The charge transfer for quasi-free HSs is analyzed. The energy of binding of a HS to a metal substrate is estimated.

scholarly journals Investigation of Interaction of Noble Metals (Cu, Ag, Au, Pt and Ir) with Nanosheets

Micromachines ◽  
2021 ◽  
Vol 12 (8) ◽  
pp. 906
Author(s):  
Mansoor H. Alshehri
Keyword(s):  
Boron Nitride ◽  
Noble Metals ◽  
Hexagonal Boron Nitride ◽  
Minimum Energy ◽  
Two Dimensional ◽  
Interaction Energies ◽  
Boron Nitride Nanosheets ◽  
Metal Atoms ◽  
Starting Point ◽  
Analytical Expressions

Two-dimensional nanomaterials, such as graphene and hexagonal boron nitride nanosheets, have attracted tremendous interest in the research community and as a starting point for the development of nanotechnology. Using classical applied mathematical modeling, we derive explicit analytical expressions to determine the binding energies of noble metals, including copper, silver, gold, platinum and iridium (Cu, Ag, Au, Pt and Ir) atoms, on graphene and hexagonal boron nitride nanosheets. We adopt the 6–12 Lennard–Jones potential function, together with the continuous approach, to determine the preferred minimum energy position of an offset metal atom above the surface of the graphene and hexagonal boron nitride nanosheets. The main results of this study are analytical expressions of the interaction energies, which we then utilize to report the mechanism of adsorption of the metal atoms on graphene and hexagonal boron nitride surfaces. The results show that the minimum binding energy occured when Cu, Ag, Au, Pt and Ir were set at perpendicular distances in the region from 3.302 Å to 3.683 Å above the nanosheet surface, which correspond to adsorption energies in the region ranging from 0.842 to 2.978 (kcal/mol). Our results might assist in providing information on the interaction energies between the metal atoms and the two-dimensional nanomaterials.

scholarly journals Точно решаемая модель графеновой наноленты с зигзагообразными краями

2020 ◽  
Vol 54 (2) ◽  
pp. 170
Author(s):  
С.Ю. Давыдов ◽  
А.В. Зубов
Keyword(s):  
Structural Model ◽  
Graphene Nanoribbon ◽  
Zigzag Edge ◽  
Occupation Numbers ◽  
Densities Of States ◽  
Local Densities ◽  
Analytical Expressions

Abstract Exact analytical expressions for the local densities of states and the occupation numbers of atoms at the zigzag edge of a graphene nanoribbon are derived in the context of a simple structural model. As an example of application of the results, the problem of a Koster–Slater defect is considered.

scholarly journals Цепочечная модель декорирования зигзагообразной кромки графена

2019 ◽  
Vol 53 (1) ◽  
pp. 83
Author(s):  
С.Ю. Давыдов
Keyword(s):  
Energy Band ◽  
Structural Model ◽  
Metal Substrate ◽  
Band Spectrum ◽  
Brick Wall ◽  
Zigzag Edge ◽  
Occupation Numbers ◽  
Graphene Lattice ◽  
Densities Of States ◽  
Analytical Expressions

AbstractFor a brick-wall-like lattice topologically equivalent to the graphene lattice, a simple structural model of a zigzag edge decorated with particles is constructed. Analytical expressions for the energy band spectrum, densities of states, and occupation numbers of the graphene–particles system are derived for a system in the free state and for a system formed on a metal substrate.

scholarly journals Tunnel magnetoresistance with atomically thin two-dimensional hexagonal boron nitride barriers

Nano Research ◽  
2014 ◽  
Vol 8 (4) ◽  
pp. 1357-1364 ◽  
Author(s):  
André Dankert ◽  
M. Venkata Kamalakar ◽  
Abdul Wajid ◽  
R. S. Patel ◽  
Saroj P. Dash
Keyword(s):  
Boron Nitride ◽  
Hexagonal Boron Nitride ◽  
Two Dimensional ◽  
Tunnel Magnetoresistance

Synthesis of centimeter-scale high-quality polycrystalline hexagonal boron nitride films from the Fe flux

Nanoscale ◽  
2021 ◽  
Author(s):  
Yifei Li ◽  
Xin Wen ◽  
Changjie Tan ◽  
Ning Li ◽  
Ruijie Li ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Hexagonal Boron Nitride ◽  
Two Dimensional ◽  
High Quality ◽  
Boron Nitride Films

Owing to its irreplaceable roles in new functional devices, such as universal substrates and excellent layered insulators, high-quality hexagonal BN (hBN) crystals are exceedingly required in the field of two-dimensional...

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