Electronic Structure and Thermochemical Parameters of the Silicon-Doped Boron Clusters BnSi, with n = 8–14, and Their Anions

2016 ◽  
Vol 120 (20) ◽  
pp. 3623-3633 ◽  
Author(s):  
Dang Thi Tuyet Mai ◽  
Long Van Duong ◽  
Truong Ba Tai ◽  
Minh Tho Nguyen
Keyword(s):  
Electronic Structure ◽  
Boron Clusters ◽  
Silicon Doped ◽  
Thermochemical Parameters

Electronic Structure and Properties of Silicon-Doped Boron Clusters BnSi with n = 15–24 and Their Anions

2020 ◽  
Vol 124 (12) ◽  
pp. 6770-6783 ◽  
Author(s):  
Dang Thi Tuyet Mai ◽  
Long Van Duong ◽  
My Phuong Pham-Ho ◽  
Minh Tho Nguyen
Keyword(s):  
Electronic Structure ◽  
Structure And Properties ◽  
Boron Clusters ◽  
Silicon Doped

Silicon doped boron clusters: how to make stable ribbons?

2017 ◽  
Vol 19 (23) ◽  
pp. 14913-14918 ◽  
Author(s):  
Long Van Duong ◽  
Minh Tho Nguyen
Keyword(s):  
Boron Clusters ◽  
Silicon Doped

A doping of small boron clusters with silicon atoms leads to the formation of stable boron nanoribbon structures.

Relation between electronic structure and coordination number for boron clusters

1985 ◽  
Vol 20 (5) ◽  
pp. 565-567
Author(s):  
S. A. Prosandeev ◽  
Yu. B. Paderno ◽  
V. P. Sachenko
Keyword(s):  
Electronic Structure ◽  
Coordination Number ◽  
Boron Clusters

Interaction of nucleobases with silicon doped and defective silicon doped graphene and optical properties

2016 ◽  
Vol 18 (1) ◽  
pp. 295-309 ◽  
Author(s):  
Sathish Kumar Mudedla ◽  
Kanagasabai Balamurugan ◽  
Manoharan Kamaraj ◽  
Venkatesan Subramanian
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Electronic Structure Methods ◽  
Doped Graphene ◽  
Silicon Doped

The interaction of nucleobases (NBs) with the surface of silicon doped graphene (SiGr) and defective silicon doped graphene (dSiGr) has been studied using electronic structure methods.

Study on Electronic Structure and Optical Property of Silicon Doped with Transition Metal by First Principles

2011 ◽  
Vol 217-218 ◽  
pp. 930-935 ◽  
Author(s):  
Jie Yu ◽  
Jing Chao Chen ◽  
Yong Pan ◽  
Rong Chen
Keyword(s):  
Electronic Structure ◽  
Optical Property ◽  
Transition Metal ◽  
First Principles ◽  
Lattice Parameter ◽  
Coefficient Increase ◽  
Result Show ◽  
Si Doped ◽  
Silicon Doped ◽  
Cr System

The First-principles based on plane-wave pseudo-potentials methods was applied to investigate the lattice parameter, electronic structure and optical property of pure Si doped with transition metal. The calculation result show that the lattice parameter decrease for Si doped with Cr and therefore the more stable structure, Si doped with Sc, Ti, V have opposite trend. Hybrid and electron transfer display intensely for Si doped with Cr from that with Sc, Ti, V. the absorption peak is located at the region of 2.42eV-2.80eV and the absorption coefficient increase intensely for doped Cr system.

Electronic Structure and Chemical Bonding in the Double Ring Tubular Boron Clusters

2014 ◽  
Vol 118 (41) ◽  
pp. 24181-24187 ◽  
Author(s):  
Hung Tan Pham ◽  
Long Van Duong ◽  
Minh Tho Nguyen
Keyword(s):  
Electronic Structure ◽  
Chemical Bonding ◽  
Boron Clusters ◽  
Double Ring

Electronic structure and photoelectron spectra of Bnwith n = 26–29: an overview of structural characteristics and growth mechanism of boron clusters

2015 ◽  
Vol 17 (20) ◽  
pp. 13672-13679 ◽  
Author(s):  
Truong Ba Tai ◽  
Minh Tho Nguyen
Keyword(s):  
Electronic Structure ◽  
Growth Mechanism ◽  
Structural Characteristics ◽  
Photoelectron Spectra ◽  
Boron Clusters

In this report, the electronic structure and photoelectron spectra of boron clusters B26–29were theoretically investigated and an overview of the growth mechanism of boron clusters was shown.

scholarly journals QUANTUM MECHANICAL STUDY OF THE MAGNETIZATION EFFECT ON THE ELECTRONIC STRUCTURE OF SI: P

2020 ◽  
Author(s):  
Anton Gnidenko ◽  
Andrey Chibisov ◽  
Maria Chibisova ◽  
Anastasiya Prohorenko
Keyword(s):  
Magnetic Field ◽  
Electronic Structure ◽  
Conduction Band ◽  
Phosphorus Atom ◽  
Energy Gap ◽  
Quantum Mechanical ◽  
Donor Level ◽  
Mechanical Study ◽  
Quantum Mechanical Study ◽  
Silicon Doped

Non-collinear calculation of the electronic structure of silicon doped with phosphorus were performed. The dependence of the energy gap between the donor level and the bottom of the conduction band on the phosphorus atom magnetization is investigate, the possibility of manipulation of the phosphorus atom spin using a magnetic field is shown.

Thermochemistry and Electronic Structure of Small Boron Clusters (Bn,n= 5−13) and Their Anions

2010 ◽  
Vol 114 (2) ◽  
pp. 994-1007 ◽  
Author(s):  
Truong Ba Tai ◽  
Daniel J. Grant ◽  
Minh Tho Nguyen ◽  
David A. Dixon
Keyword(s):  
Electronic Structure ◽  
Boron Clusters
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