Insight into the Vibrational and Thermodynamic Properties of Layered Lithium Transition-Metal Oxides LiMO2 (M = Co, Ni, Mn): A First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b11891 ◽

2016 ◽

Vol 120 (11) ◽

pp. 5876-5882 ◽

Cited By ~ 18

Author(s):

Taoyuan Du ◽

Bo Xu ◽

Musheng Wu ◽

Gang Liu ◽

Chuying Ouyang

Keyword(s):

Transition Metal ◽

Thermodynamic Properties ◽

Metal Oxides ◽

Transition Metal Oxides ◽

First Principles ◽

First Principles Study ◽

Insight Into

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First Principles Study of the Factors Affecting Li Mobility in Layered Lithium Transition Metal Oxides

ECS Meeting Abstracts ◽

10.1149/ma2005-02/4/236 ◽

2005 ◽

Keyword(s):

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides ◽

First Principles ◽

Factors Affecting ◽

First Principles Study

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First-Principles Study of the Electronic and Dielectric Properties of Group IVB Transition Metal Oxides and Silicates.

ECS Meeting Abstracts ◽

10.1149/ma2007-02/20/1118 ◽

2007 ◽

Keyword(s):

Dielectric Properties ◽

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides ◽

First Principles ◽

First Principles Study

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First Principles Study on Factors Affecting Li Mobility in Spinel Lithium Transition Metal Oxides

ECS Meeting Abstracts ◽

10.1149/ma2008-02/12/1212 ◽

2008 ◽

Keyword(s):

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides ◽

First Principles ◽

Factors Affecting ◽

First Principles Study

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Monolayer Transition Metal Oxides (MTMOs): CoO, FeO and NiO—A First Principles Study

10.1007/978-981-16-5971-3_7 ◽

2021 ◽

pp. 59-70

Author(s):

Sanju Meena ◽

Jyotika Jogi

Keyword(s):

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides ◽

First Principles ◽

First Principles Study

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First-principles study of lithium ion migration in lithium transition metal oxides with spinel structure

Physical Chemistry Chemical Physics ◽

10.1039/c2cp42154b ◽

2012 ◽

Vol 14 (40) ◽

pp. 13963 ◽

Cited By ~ 40

Author(s):

Masanobu Nakayama ◽

Mayumi Kaneko ◽

Masataka Wakihara

Keyword(s):

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides ◽

First Principles ◽

Spinel Structure ◽

Lithium Ion ◽

Ion Migration ◽

First Principles Study

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First-Principles Study of Layered Transition Metal Oxides As a Cathode Material for Ca-Ion Intercalating Batteries

ECS Meeting Abstracts ◽

10.1149/ma2020-022224mtgabs ◽

2020 ◽

Vol MA2020-02 (2) ◽

pp. 224-224

Author(s):

Haesun Park ◽

Peter Zapol

Keyword(s):

Transition Metal ◽

Cathode Material ◽

Metal Oxides ◽

Transition Metal Oxides ◽

First Principles ◽

First Principles Study ◽

Layered Transition Metal

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First-Principles Study of Dynamical and Dielectric Properties of Orthorhombic Phases of Group IVb Transition Metal Oxides.

ECS Transactions ◽

10.1149/1.2779547 ◽

2019 ◽

Vol 11 (4) ◽

pp. 47-58 ◽

Cited By ~ 1

Author(s):

Gian-Marco Rignanese

Keyword(s):

Dielectric Properties ◽

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides ◽

First Principles ◽

First Principles Study

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First-principles study on the electronic structure of bismuth transition-metal oxides

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/16/48/026 ◽

2004 ◽

Vol 16 (48) ◽

pp. S5677-S5683 ◽

Cited By ~ 42

Author(s):

T Shishidou ◽

N Mikamo ◽

Y Uratani ◽

F Ishii ◽

T Oguchi

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides ◽

First Principles ◽

First Principles Study

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Structural and Electronic Properties of Transition-Metal Oxides Attached to a Single-Walled CNT as a Lithium-Ion Battery Electrode: A First-Principles Study

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.6b12904 ◽

2017 ◽

Vol 121 (13) ◽

pp. 2636-2642 ◽

Cited By ~ 11

Author(s):

Liew Weng Tack ◽

Mohd Asyadi Azam ◽

Raja Noor Amalina Raja Seman

Keyword(s):

Transition Metal ◽

Metal Oxides ◽

Electronic Properties ◽

Lithium Ion Battery ◽

Transition Metal Oxides ◽

First Principles ◽

Lithium Ion ◽

First Principles Study ◽

Structural And Electronic Properties ◽

Battery Electrode

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Insight into structural, elastic, phonon, and thermodynamic properties of α-sulfur and energy-related sulfides: a comprehensive first-principles study

Journal of Materials Chemistry A ◽

10.1039/c4ta07062c ◽

2015 ◽

Vol 3 (15) ◽

pp. 8002-8014 ◽

Cited By ~ 24

Author(s):

ShunLi Shang ◽

Yi Wang ◽

Pinwen Guan ◽

William Y. Wang ◽

Huazhi Fang ◽

...

Keyword(s):

Thermodynamic Properties ◽

First Principles ◽

First Principles Study ◽

Comprehensive Properties ◽

Insight Into

Current advances in first-principles methodology, comprehensive properties, quantitative bonding and non-polar nature were revealed for α-sulfur and validated by sulfides.

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