A first-principles study on the electronic structure of one-dimensional [TM(Bz)]∞ polymer (TM= Y, Zr, Nb, Mo, and Tc)

2009 ◽  
Vol 4 (3) ◽  
pp. 403-407 ◽  
Author(s):  
Fang Wu ◽  
Richard Tjornhammar ◽  
Er-jun Kan ◽  
Zhen-yu Li
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
One Dimensional ◽  
First Principles Study

First-principles study of (Ti5−xMgx)Si3 phases with the hexagonal D88 structure: Elastic properties and electronic structure

2012 ◽  
Vol 54 ◽  
pp. 287-292 ◽  
Author(s):  
Xiao-Jun Chen ◽  
Meng-Xue Zeng ◽  
Ren-Nian Wang ◽  
Zhou-Sheng Mo ◽  
Bi-Yu Tang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Elastic Properties ◽  
First Principles ◽  
First Principles Study

First-principles study of carbon nanothreads derived from five-membered heterocyclic rings: thiophene, furan and pyrrole

2020 ◽  
Author(s):  
Pedro Guerra Demingos ◽  
Naira Maria Balzaretti ◽  
André Muniz
Keyword(s):  
First Principles ◽  
Membered Ring ◽  
One Dimensional ◽  
Aromatic Molecules ◽  
First Principles Study ◽  
Ring Molecules

Carbon nanothreads are one-dimensional materials obtained by controlled compression of aromatic molecules. Benzene and other six-membered ring molecules are normally used as precursors, but recent experiments have shown that carbon...

First principles study on electronic structure and elastic properties of LaCd and LaHg

2014 ◽  
Author(s):  
Hansa Devi ◽  
Gitanjali Pagare ◽  
S. S. Chouhan ◽  
Sankar P. Sanyal
Keyword(s):  
Electronic Structure ◽  
Elastic Properties ◽  
First Principles ◽  
First Principles Study

scholarly journals First-principles study of electronic structure of deformed carbon nanotubes

2007 ◽  
Vol 8 (3) ◽  
pp. 200-203 ◽  
Author(s):  
Kazuchika Iwami ◽  
Hidekazu Goto ◽  
Kikuji Hirose ◽  
Tomoya Ono
Keyword(s):  
Carbon Nanotubes ◽  
Electronic Structure ◽  
First Principles ◽  
First Principles Study

First-principles study of the electronic structure of NaTaO3

2001 ◽  
Vol 120 (4) ◽  
pp. 137-140 ◽  
Author(s):  
Y.X. Wang ◽  
W.L. Zhong ◽  
C.L. Wang ◽  
P.L. Zhang
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
First Principles Study

First principles study on the electronic structure properties of Keggin polyoxometalates on Carbon substrates for solid-state devices

2017 ◽  
Vol 136 (2) ◽  
Author(s):  
Jesús Muñiz ◽  
Christian Celaya ◽  
Ana Mejía-Ozuna ◽  
Ana Karina Cuentas-Gallegos ◽  
L. M. Mejía-Mendoza ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
First Principles ◽  
First Principles Study ◽  
Solid State Devices ◽  
Carbon Substrates ◽  
Structure Properties
Sign in / Sign up

Export Citation Format

Share Document