Computational study of crystalline and glassy lithium thiophosphates: Structure, thermodynamic stability and transport properties

Charge transport properties of open-shell graphene fragments: a computational study of the phenalenyl tilings

Physical Chemistry Chemical Physics ◽

10.1039/d0cp03140b ◽

2021 ◽

Author(s):

Wei-Chih Chen ◽

Ito Chao

Keyword(s):

Charge Transport ◽

Transport Properties ◽

Computational Study ◽

Design Strategy ◽

Open Shell

The skeleton of the phenalenyl radical was extended to explore charge-transporting materials. MO-based design strategy successfully leads to graphene-like radicals superior to the phenalenyl radical with different sizes and shapes.

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Computational Study of Electron Transport Properties in Graphene Nanoribbon and Nanoribbon-based Resonant Tunneling Diodes

2020 11th International Conference on Electrical and Computer Engineering (ICECE) ◽

10.1109/icece51571.2020.9393120 ◽

2020 ◽

Author(s):

M. T. R. Chowdhury ◽

F. M. Mohammedy

Keyword(s):

Electron Transport ◽

Transport Properties ◽

Resonant Tunneling ◽

Computational Study ◽

Graphene Nanoribbon ◽

Resonant Tunneling Diodes ◽

Tunneling Diodes ◽

Electron Transport Properties

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Thermodynamic stability and transport properties of tavorite LiFeSO4F as a cathode material for lithium-ion batteries

Journal of Materials Chemistry A ◽

10.1039/c5ta03744a ◽

2015 ◽

Vol 3 (39) ◽

pp. 19728-19737 ◽

Cited By ~ 11

Author(s):

Ying Xie ◽

Hai-Tao Yu ◽

Ting-Feng Yi ◽

Qi Wang ◽

Qing-Shan Song ◽

...

Keyword(s):

Cathode Material ◽

Transport Properties ◽

Lithium Ion Batteries ◽

Thermodynamic Stability ◽

Lithium Ion ◽

Ionic Conductance ◽

Electronic Conductivities ◽

High Thermodynamic Stability

LiFeSO4F and FeSO4F exhibit high thermodynamic stability, excellent ionic conductance and poor electronic conductivities.

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Experimental and computational study of mechanical and transport properties of a polymer coating for drug-eluting stents

Therapeutic Delivery ◽

10.4155/tde.15.74 ◽

2015 ◽

Vol 6 (11) ◽

pp. 1255-1268 ◽

Cited By ~ 3

Author(s):

Mariacristina Gagliardi

Keyword(s):

Transport Properties ◽

Polymer Coating ◽

Computational Study ◽

Drug Eluting Stents ◽

Drug Eluting

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How Mixing Tetraglyme with Ionic Liquid Changes Volumetric and Transport Properties: An Experimental and Computational Study

ECS Meeting Abstracts ◽

10.1149/ma2016-03/2/448 ◽

2016 ◽

Keyword(s):

Ionic Liquid ◽

Transport Properties ◽

Computational Study

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Computational study of structure, electronic, and microscopic charge transport properties of small conjugated diketopyrrolopyrrole-thiophene molecules

International Journal of Quantum Chemistry ◽

10.1002/qua.25205 ◽

2016 ◽

Vol 116 (20) ◽

pp. 1459-1466 ◽

Cited By ~ 8

Author(s):

Maria V. Makarova ◽

Sergey G. Semenov ◽

Olga A. Guskova

Keyword(s):

Charge Transport ◽

Transport Properties ◽

Computational Study

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Regulation of transport properties by polytypism: a computational study on bilayer MoS2

Physical Chemistry Chemical Physics ◽

10.1039/c7cp02973j ◽

2017 ◽

Vol 19 (32) ◽

pp. 21282-21286 ◽

Cited By ~ 2

Author(s):

Swastika Banerjee ◽

Jaehong Park ◽

Cheol Seong Hwang ◽

Jung-Hae Choi ◽

Seung-Cheol Lee ◽

...

Keyword(s):

Transport Properties ◽

Computational Study ◽

Van Der Waals ◽

Regulation Of Transport

Being a member of the van der Waals class of solids, bilayer MoS2exhibits polytypism due to different possible stacking arrangements, namely, 2Hc, 2Haand 3R-polytypes which in turn differentiates the transport preoperty of the polytypes.

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