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

2020 ◽  
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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 of the quasi-one-dimensional organic-inorganic hybrid perovskites (MV)AI3Cl2 ( MV=methylviologen ; A=Bi,Sb )

2021 ◽  
Vol 104 (7) ◽  
Author(s):  
Chao Wang ◽  
Yunlin Lei ◽  
Winnie Wong-Ng ◽  
Qiang Gu ◽  
Xingxing Wu ◽  
...  
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First Principles ◽  
Inorganic Hybrid ◽  
One Dimensional ◽  
First Principles Study

First-principles study of one-dimensional sandwich wires [(P)5TM]∞ (TM = Ti, V, Cr, Mn, Fe, Co)

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Vol 25 (39) ◽  
pp. 395503 ◽  
Author(s):  
Yandong Ma ◽  
Ying Dai ◽  
Xinru Li ◽  
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Baibiao Huang
Keyword(s):  
First Principles ◽  
One Dimensional ◽  
First Principles Study

The optical properties of one-dimensional ZnO: A first-principles study

2007 ◽  
Vol 446 (1-3) ◽  
pp. 98-102 ◽  
Author(s):  
Y.R. Yang ◽  
X.H. Yan ◽  
Y. Xiao ◽  
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Keyword(s):  
Optical Properties ◽  
First Principles ◽  
One Dimensional ◽  
First Principles Study

Effects of doping on photoelectrical properties of one-dimensional α-Si3N4 nanomaterials: A first-principles study

2018 ◽  
Vol 550 ◽  
pp. 32-38 ◽  
Author(s):  
Li Xiong ◽  
Jianhong Dai ◽  
Yan Song ◽  
Guangwu Wen ◽  
Long Xia ◽  
...  
Keyword(s):  
First Principles ◽  
One Dimensional ◽  
First Principles Study ◽  
Photoelectrical Properties
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