First-Principles study of two dimensional transition metal phthalocyanine-based metal-organic frameworks in kagome lattice

2019 ◽  
Vol 32 (5) ◽  
pp. 563-571 ◽  
Author(s):  
Hao-qi Chen ◽  
Huan Shan ◽  
Ai-di Zhao ◽  
Bin Li
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Metal Organic Frameworks ◽  
Two Dimensional ◽  
Metal Phthalocyanine ◽  
Kagome Lattice ◽  
Kagomé Lattice ◽  
First Principles Study ◽  
Metal Organic

scholarly journals First-principles design of a half-filled flat band of the kagome lattice in two-dimensional metal-organic frameworks

2016 ◽  
Vol 94 (8) ◽  
Author(s):  
Masahiko G. Yamada ◽  
Tomohiro Soejima ◽  
Naoto Tsuji ◽  
Daisuke Hirai ◽  
Mircea Dincă ◽  
...  
Keyword(s):  
First Principles ◽  
Metal Organic Frameworks ◽  
Flat Band ◽  
Two Dimensional ◽  
Kagome Lattice ◽  
Kagomé Lattice ◽  
Metal Organic

Investigation of magnetic and electronic properties of transition metal doped Sc2CT2(T = O, OH or F) using a first principles study

2016 ◽  
Vol 18 (18) ◽  
pp. 12914-12919 ◽  
Author(s):  
Jianhui Yang ◽  
Xuepiao Luo ◽  
Shaozheng Zhang ◽  
Liang Chen
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
Spin Electronics ◽  
First Principles Study ◽  
Two Dimensional Materials ◽  
Metal Doped ◽  
Mn Doped

Cr- and Mn-doped Sc2CT2(T = OH, O, or F) systems are magnetic, which are promising two-dimensional materials in spin electronics applications.

Toward Efficient Drug Delivery through Suitably Prepared Metal–Organic Frameworks: A First-Principles Study

2014 ◽  
Vol 118 (17) ◽  
pp. 8885-8890 ◽  
Author(s):  
Emmanuel N. Koukaras ◽  
Tamsyn Montagnon ◽  
Pantelis Trikalitis ◽  
Dimitrios Bikiaris ◽  
Aristides D. Zdetsis ◽  
...  
Keyword(s):  
Drug Delivery ◽  
First Principles ◽  
Metal Organic Frameworks ◽  
First Principles Study ◽  
Metal Organic

A novel two-dimensional MgB6 crystal: metal-layer stabilized boron kagome lattice

2015 ◽  
Vol 17 (2) ◽  
pp. 1093-1098 ◽  
Author(s):  
Sheng-Yi Xie ◽  
Xian-Bin Li ◽  
Wei Quan Tian ◽  
Nian-Ke Chen ◽  
Yeliang Wang ◽  
...  
Keyword(s):  
First Principles ◽  
Metal Layer ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Kagome Lattice ◽  
Kagomé Lattice ◽  
First Time

Based on first-principles calculations, we designed for the first time a boron-kagome-based two-dimensional MgB6 crystal, in which two boron kagome layers sandwich a triangular magnesium layer.

Robust spin manipulation in 2D organometallic Kagome lattices: a first-principles study

2020 ◽  
Vol 22 (19) ◽  
pp. 11045-11052
Author(s):  
Peng Wang ◽  
Xue Jiang ◽  
Jun Hu ◽  
Biao Wang ◽  
Tingwei Zhou ◽  
...  
Keyword(s):  
First Principles ◽  
Room Temperature ◽  
Metal Organic Frameworks ◽  
Spin Manipulation ◽  
First Principles Study ◽  
Metal Organic

Room temperature ferromagnetic spintronic materials are screened out in 2D metal organic frameworks with Kagome lattices.

Gas adsorption on MoS2/WS2 in-plane heterojunctions and the I–V response: a first principles study

RSC Advances ◽  
2016 ◽  
Vol 6 (21) ◽  
pp. 17494-17503 ◽  
Author(s):  
Jie Sun ◽  
Na Lin ◽  
Hao Ren ◽  
Cheng Tang ◽  
Letao Yang ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Gas Adsorption ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
First Principles Study ◽  
Metal Dichalcogenides ◽  
Great Scope

New artificial in-plane heterojunctions based on two-dimensional transition metal dichalcogenides fabricated in recent reports are considered able to offer great scope for applications.

Sign in / Sign up

Export Citation Format

Share Document