First-Principles Study of an Ethoxycarbonyl-Based Organic Electrode Material of Lithium Battery

The Journal of Physical Chemistry C ◽

10.1021/jp5056792 ◽

2014 ◽

Vol 118 (38) ◽

pp. 21813-21818 ◽

Author(s):

Yanhui Chen ◽

Zeyuan Wu ◽

Shaorui Sun

Keyword(s):

Electrode Material ◽

First Principles ◽

Lithium Battery ◽

First Principles Study ◽

Organic Electrode

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First-principles study of LiMPO4compounds (M=Mn, Fe, Co, Ni) as electrode material for lithium batteries

The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics ◽

10.1080/14786430412331331880 ◽

2005 ◽

Vol 85 (16) ◽

pp. 1747-1754 ◽

Author(s):

O. Le Bacq ◽

A. Pasturel *

Keyword(s):

Electrode Material ◽

Lithium Batteries ◽

First Principles ◽

First Principles Study

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Al-Doped ZnO Monolayer as a Promising Transparent Electrode Material: A First-Principles Study

Materials ◽

10.3390/ma10040359 ◽

2017 ◽

Vol 10 (4) ◽

pp. 359 ◽

Author(s):

Mingyang Wu ◽

Dan Sun ◽

Changlong Tan ◽

Xiaohua Tian ◽

Yuewu Huang

Keyword(s):

Electrode Material ◽

First Principles ◽

Transparent Electrode ◽

First Principles Study ◽

Doped Zno ◽

Transparent Electrode Material

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(10, 10) Single walled carbon nanotube consisted of chemisorbed oxygen atoms as a promising supercapacitor electrode material: A first principles study

Chemical Physics Letters ◽

10.1016/j.cplett.2016.10.018 ◽

2016 ◽

Vol 664 ◽

pp. 96-100 ◽

Author(s):

Ehsan Targholi ◽

Masoumeh Molaei ◽

S. Morteza Mousavi-Khoshdel

Keyword(s):

Carbon Nanotube ◽

Electrode Material ◽

First Principles ◽

Supercapacitor Electrode ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

First Principles Study ◽

Chemisorbed Oxygen ◽

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First-principles study of electron transport in azulene molecular junction: effect of electrode material on electrical rectification behavior

Journal of Computational Electronics ◽

10.1007/s10825-018-1130-z ◽

2018 ◽

Vol 17 (2) ◽

pp. 580-585 ◽

Author(s):

C. Preferencial Kala ◽

D. John Thiruvadigal

Keyword(s):

Electron Transport ◽

Electrode Material ◽

First Principles ◽

Molecular Junction ◽

First Principles Study

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A poorly soluble organic electrode material for high energy density lithium primary batteries based on a multi-electron reduction

Chemical Communications ◽

10.1039/d1cc03938e ◽

2021 ◽

Vol 57 (82) ◽

pp. 10791-10794

Author(s):

Zifeng Chen ◽

Pengfei Sun ◽

Panxing Bai ◽

Hai Su ◽

Jixing Yang ◽

...

Keyword(s):

Organic Compound ◽

Energy Density ◽

Electrode Material ◽

Lithium Battery ◽

High Energy ◽

High Energy Density ◽

Organic Electrode ◽

Poorly Soluble ◽

Electron Reduction ◽

Organic Batteries

A poorly soluble and high energy density organic compound is reported for lithium battery cathode materials, delivering a high energy density of 1392 W h kg−1. This work provides a strategy for realizing high energy density lithium–organic batteries.

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FIRST-PRINCIPLES STUDY OF MAGNETISM AND HALF-METALLIC PROPERTIES OF THE D0 QUATERNARY HEUSLER ALLOYS BANYO (Y = K, RB AND CS)

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782012006x ◽

2020 ◽

Vol 111 (11-12(6)) ◽

pp. 819-819

Author(s):

S. BENATMANE ◽

S. CHERID

Keyword(s):

First Principles ◽

Heusler Alloys ◽

Half Metallic ◽

First Principles Study ◽

Quaternary Heusler Alloys

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INSIGHT INTO STRUCTURAL, ELECTRONIC, MAGNETIC AND ELASTIC PROPERTIES OF FULL-HEUSLER ALLOYS CO2YPB (Y = TI, V, FE AND MO): A ﬁRST-PRINCIPLES STUDY

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782017005x ◽

2020 ◽

Vol 112 (5-6(9)) ◽

pp. 312-312

Author(s):

A. ZITOUNI ◽

G. REMIL ◽

B. BOUADJEMI ◽

W. BENSTAALI ◽

T. LANTRI ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study ◽

Full Heusler ◽

Full Heusler Alloys ◽

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First-Principles Study of Mn-rich Ni-Mn-Ga Alloys: Effect of Disorder on Martensitic Transformation

Shape Memory Alloys ◽

10.21741/9781644900017-22 ◽

2018 ◽

Keyword(s):

Martensitic Transformation ◽

First Principles ◽

First Principles Study ◽

Effect Of Disorder

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Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp03690k ◽

2020 ◽

Vol 22 (36) ◽

pp. 20914-20921 ◽

Author(s):

Rajmohan Muthaiah ◽

Jivtesh Garg

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

High Thermal Conductivity ◽

Biaxial Strain ◽

Length Scales ◽

First Principles Study ◽

Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

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Adjustable electronic and optical properties of BlueP/MoS2 van der Waals heterostructure by external strain: a first-principles study

Nanotechnology ◽

10.1088/1361-6528/ab978b ◽

2020 ◽

Vol 31 (37) ◽

pp. 375706 ◽

Author(s):

Fei Yang ◽

Junnan Han ◽

Le Zhang ◽

Xianhong Tang ◽

Zhenguo Zhuo ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Van Der Waals Heterostructure ◽

External Strain

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