First-Principles Study on the Mechanical Properties of Polymers Formed by the Electrochemical Reduction of Fluoroethylene Carbonate and Vinylene Carbonate

Yuki Kamikawa; Kouji Amezawa; Kenjiro Terada

doi:10.1021/acs.jpcc.0c04878

First-Principles Study on the Mechanical Properties of Polymers Formed by the Electrochemical Reduction of Fluoroethylene Carbonate and Vinylene Carbonate

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c04878 ◽

2020 ◽

Vol 124 (37) ◽

pp. 19937-19944

Author(s):

Yuki Kamikawa ◽

Kouji Amezawa ◽

Kenjiro Terada

Keyword(s):

Mechanical Properties ◽

Electrochemical Reduction ◽

First Principles ◽

Vinylene Carbonate ◽

First Principles Study ◽

Fluoroethylene Carbonate

Download Full-text

First-principles study of high-pressure structural stability and mechanical properties of Ni2B

Computational Materials Science ◽

10.1016/j.commatsci.2021.110465 ◽

2021 ◽

Vol 194 ◽

pp. 110465

Author(s):

Menglong Wang ◽

Jialing Xie ◽

Keying Xue ◽

Lingxia Li

Keyword(s):

Mechanical Properties ◽

High Pressure ◽

Structural Stability ◽

First Principles ◽

First Principles Study

Download Full-text

Effect of 3d-transition metals doped in ZnO monolayers on the CO2 electrochemical reduction to valuable products: first principles study

Applied Surface Science ◽

10.1016/j.apsusc.2021.149380 ◽

2021 ◽

Vol 550 ◽

pp. 149380

Author(s):

Pornsawan Sikam ◽

Kaito Takahashi ◽

Thantip Roongcharoen ◽

Thanadol Jitwatanasirikul ◽

Chirawat Chitpakdee ◽

...

Keyword(s):

Transition Metals ◽

Electrochemical Reduction ◽

First Principles ◽

First Principles Study

Download Full-text

Thermoelectric and mechanical properties of XHfSn (X=Ni, Pd and Pt) semiconducting Half-heusler alloys: A first-principles study

Computational Condensed Matter ◽

10.1016/j.cocom.2021.e00539 ◽

2021 ◽

Vol 26 ◽

pp. e00539

Author(s):

Jonah Nagura ◽

Timothy M. Ashani ◽

Paul O. Adebambo ◽

F. Ayedun ◽

Gboyega A. Adebayo

Keyword(s):

Mechanical Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study

Download Full-text

Normal compressive strain-induced modulation of electronic and mechanical properties of multilayer MoS2 and Graphene/MoS2 heterostructure: A first-principles study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2019.03.012 ◽

2019 ◽

Vol 111 ◽

pp. 158-166 ◽

Cited By ~ 4

Author(s):

Nayereh Ghobadi

Keyword(s):

Mechanical Properties ◽

First Principles ◽

Compressive Strain ◽

First Principles Study

Download Full-text

First-Principles Study of C–C Coupling Pathways for CO2 Electrochemical Reduction Catalyzed by Cu(110)

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c10736 ◽

2021 ◽

Vol 125 (4) ◽

pp. 2464-2476

Author(s):

Tung-Chun Kuo ◽

Jia-Wei Chou ◽

Min-Hsiu Shen ◽

Zih-Siang Hong ◽

Tzu-Hsuan Chao ◽

...

Keyword(s):

Electrochemical Reduction ◽

First Principles ◽

First Principles Study

Download Full-text

Electronic and mechanical properties of monocrystalline silicon doped with trace content of N or P: A first-principles study

Solid State Sciences ◽

10.1016/j.solidstatesciences.2021.106723 ◽

2021 ◽

Vol 120 ◽

pp. 106723

Author(s):

W.J. Zhang ◽

J.S. Chen ◽

S. Li ◽

Y.H. Wu ◽

P.L. Zhang ◽

...

Keyword(s):

Mechanical Properties ◽

First Principles ◽

Monocrystalline Silicon ◽

First Principles Study ◽

Silicon Doped

Download Full-text

Implication of Mechanical Properties of Li-S Binary Compounds Obtained from the First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c10448 ◽

2021 ◽

Author(s):

Qing Guo ◽

Kah Chun Lau ◽

Ravindra Pandey

Keyword(s):

Mechanical Properties ◽

First Principles ◽

First Principles Study ◽

Binary Compounds

Download Full-text

A first-principles study for the elastic and mechanical properties of Ti64, Ti6242 and Ti6246 alloys

The European Physical Journal B ◽

10.1140/epjb/s10051-021-00230-8 ◽

2021 ◽

Vol 94 (11) ◽

Author(s):

E. Güler ◽

M. Güler ◽

G. Uğur ◽

Ş. Uğur

Keyword(s):

Mechanical Properties ◽

First Principles ◽

First Principles Study

Download Full-text

First-Principles study for structural, elastic and mechanical properties of CuCoMnZ (Z=Si, Sn, Sb) Heusler alloys

Materials Research Express ◽

10.1088/2053-1591/aaeb0a ◽

2018 ◽

Vol 6 (2) ◽

pp. 026522 ◽

Cited By ~ 3

Author(s):

A Afaq ◽

Shanian M B ◽

Abu Bakar

Keyword(s):

Mechanical Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study

Download Full-text

Effect of Hf additions on phase stability and mechanical properties of binary W-Hf alloys: A first-principles study

Fusion Engineering and Design ◽

10.1016/j.fusengdes.2018.10.007 ◽

2018 ◽

Vol 137 ◽

pp. 295-302 ◽

Cited By ~ 4

Author(s):

Diyou Jiang ◽

Tao Wang ◽

Xiaohua Huang ◽

Xiongzhi Zou ◽

Jianfeng Hu

Keyword(s):

Mechanical Properties ◽

Phase Stability ◽

First Principles ◽

First Principles Study

Download Full-text