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

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...

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First-principles study of two- and one-dimensional honeycomb structures of boron nitride

Physical Review B ◽

10.1103/physrevb.79.115442 ◽

2009 ◽

Vol 79 (11) ◽

Cited By ~ 439

Author(s):

M. Topsakal ◽

E. Aktürk ◽

S. Ciraci

Keyword(s):

Boron Nitride ◽

First Principles ◽

One Dimensional ◽

Honeycomb Structures ◽

First Principles Study

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A first-principles study of electronic and magnetic properties of a quasi-one-dimensional organic ferromagnet

EPL (Europhysics Letters) ◽

10.1209/0295-5075/77/37006 ◽

2007 ◽

Vol 77 (3) ◽

pp. 37006 ◽

Cited By ~ 6

Author(s):

S. J Luo ◽

G. Y Guo ◽

A Laref

Keyword(s):

Magnetic Properties ◽

First Principles ◽

One Dimensional ◽

Electronic And Magnetic Properties ◽

First Principles Study

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

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/25/39/395503 ◽

2013 ◽

Vol 25 (39) ◽

pp. 395503 ◽

Cited By ~ 1

Author(s):

Yandong Ma ◽

Ying Dai ◽

Xinru Li ◽

Zhujie Li ◽

Baibiao Huang

Keyword(s):

First Principles ◽

One Dimensional ◽

First Principles Study

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First-principles study of organic-inorganic hybrid framework compound Mn(C4H4O4)

Physical Review B ◽

10.1103/physrevb.84.134415 ◽

2011 ◽

Vol 84 (13) ◽

Cited By ~ 1

Author(s):

Sudipta Kanungo ◽

T. Saha-Dasgupta

Keyword(s):

First Principles ◽

Inorganic Hybrid ◽

First Principles Study ◽

Hybrid Framework

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

Chemical Physics Letters ◽

10.1016/j.cplett.2007.08.004 ◽

2007 ◽

Vol 446 (1-3) ◽

pp. 98-102 ◽

Cited By ~ 29

Author(s):

Y.R. Yang ◽

X.H. Yan ◽

Y. Xiao ◽

Z.H. Guo

Keyword(s):

Optical Properties ◽

First Principles ◽

One Dimensional ◽

First Principles Study

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Extrinsic dopants in quasi-one-dimensional photovoltaic semiconductor Sb2S3: A first-principles study

Journal of Applied Physics ◽

10.1063/1.5140751 ◽

2020 ◽

Vol 127 (18) ◽

pp. 183101

Author(s):

Zenghua Cai ◽

Shiyou Chen

Keyword(s):

First Principles ◽

One Dimensional ◽

First Principles Study

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Electronic excitation induced hydrogen-bond adjustment and lattice control in organic–inorganic hybrid cubic perovskites: a fixed occupation molecular dynamics study

Physical Chemistry Chemical Physics ◽

10.1039/c7cp05034h ◽

2017 ◽

Vol 19 (38) ◽

pp. 26164-26168 ◽

Cited By ~ 1

Author(s):

Mo-Ran Wang ◽

Xiang-Yang Ren ◽

Xian-Bin Li ◽

Nian-Ke Chen ◽

Hong-Bo Sun

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Hydrogen Bonding ◽

First Principles ◽

Electronic Excitation ◽

Inorganic Hybrid ◽

Cubic Symmetry ◽

First Principles Study

Fixed occupation first-principles study reveals the effect of electronic excitation on lattice of cubic perovskite MAPbI3. With excitations, the hydrogen bonding between MA molecules and inorganic lattice is weakened and the cubic symmetry is recovered.

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