Tailoring the Electronic Structure and Chemical Activity of Iron via Confining into Two-Dimensional Materials

2018 ◽  
Vol 122 (42) ◽  
pp. 24037-24045 ◽  
Author(s):  
Dan Luo ◽  
Pengju Ren ◽  
Xingchen Liu ◽  
Rui Gao ◽  
Yuwei Zhou ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Chemical Activity ◽  
Two Dimensional ◽  
Two Dimensional Materials

scholarly journals Effect of F Functional Modification on the Stability and Electronic Structure of Borene

2021 ◽  
Vol 2108 (1) ◽  
pp. 012082
Author(s):  
Cuicui Sun ◽  
Mengmeng Liu
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Honeycomb Structure ◽  
Academic Community ◽  
Two Dimensional ◽  
Structure Characteristics ◽  
Functional Modification ◽  
Metastable Structure ◽  
Two Dimensional Materials ◽  
The Stability

Abstract Since the discovery of graphene, two-dimensional materials have quickly won widespread attention in the academic community. Borene is a two-dimensional isomer of boron and the lightest element Dirac material. It becomes the latest and promising two-dimensional material due to its unique structure and electronic properties. In the periodic table, B is a close neighbor of C and has a certain similarity with C. It can also form a hexagonal honeycomb structure. An additional B atom is added to the center of the ring to form a triangular lattice borene. The triangular borene has surplus electrons and belongs to a multi-electron state, which is equivalent to a metastable structure. In this paper, the first principles are used to study the F functionalized modification of the triangular borene. The aim is to transfer the surplus electrons in the system, and probe its structural stability and electronic structure characteristics. The study found that functional modification significantly improved the stability of borene. This can provide feasible ideas and practical guidance for the experimental synthesis of stable boronene.

The electronic structure calculations of two-dimensional transition-metal dichalcogenides in the presence of external electric and magnetic fields

2015 ◽  
Vol 44 (9) ◽  
pp. 2603-2614 ◽  
Author(s):  
Agnieszka Kuc ◽  
Thomas Heine
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Transition Metal Dichalcogenides ◽  
Electronic Structure Calculations ◽  
Layered Materials ◽  
Two Dimensional ◽  
Two Dimensional Materials ◽  
Electric And Magnetic Fields ◽  
Metal Dichalcogenides ◽  
Structure Calculations

Transition-metal dichalcogenides TX2 (T = W, Mo; X = S, Se, Te) are layered materials that are available in ultrathin forms such as mono-, bi- and multilayers, which are commonly known as two-dimensional materials.

Two-dimensional materials: Electronic structure and many-body effects

2014 ◽  
Vol 526 (9-10) ◽  
pp. A81-A82 ◽  
Author(s):  
Francisco Guinea ◽  
Mikhail I. Katsnelson ◽  
Tim O. Wehling
Keyword(s):  
Electronic Structure ◽  
Two Dimensional ◽  
Many Body ◽  
Two Dimensional Materials ◽  
Many Body Effects
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