Experimental Investigation and First-Principles Calculations of a Ni3Se4 Cathode Material for Mg-Ion Batteries

Luyao Wei; Ruqian Lian; Yingying Zhao; Yuan Meng; Li He; Yue Yu; Gang Chen; Yingjin Wei

doi:10.1021/acsami.9b21540

Experimental Investigation and First-Principles Calculations of a Ni3Se4 Cathode Material for Mg-Ion Batteries

ACS Applied Materials & Interfaces ◽

10.1021/acsami.9b21540 ◽

2020 ◽

Vol 12 (8) ◽

pp. 9316-9321 ◽

Cited By ~ 3

Author(s):

Luyao Wei ◽

Ruqian Lian ◽

Yingying Zhao ◽

Yuan Meng ◽

Li He ◽

...

Keyword(s):

Experimental Investigation ◽

Cathode Material ◽

First Principles ◽

First Principles Calculations

Download Full-text

First Principles Calculations on Lithium Diffusion near Surface and in Bulk of Fe-doped LiCoPO4

Physical Chemistry Chemical Physics ◽

10.1039/d1cp04517b ◽

2021 ◽

Author(s):

Kuan-Ching Wu ◽

Chieh-Ming Hsieh ◽

Bor Kae Chang

Keyword(s):

Cathode Material ◽

Lithium Ion Batteries ◽

High Voltage ◽

First Principles ◽

Energy Barrier ◽

Lithium Ion ◽

First Principles Calculations ◽

Near Surface ◽

Lithium Diffusion ◽

Olivine Phosphate

The olivine phosphate LiCoPO4 is a prospective cathode material in high voltage lithium ion batteries. During lithium diffusion, the ions must overcome diffusion energy barrier near the surface and in...

Download Full-text

Doping indium in β-Bi2O3to tune the electronic structure and improve the photocatalytic activities: first-principles calculations and experimental investigation

Physical Chemistry Chemical Physics ◽

10.1039/c4cp02656j ◽

2014 ◽

Vol 16 (42) ◽

pp. 23476-23482 ◽

Cited By ~ 25

Author(s):

Junying Zhang ◽

Wenqiang Dang ◽

Xingchen Yan ◽

Min Li ◽

Hong Gao ◽

...

Keyword(s):

Experimental Investigation ◽

Electronic Structure ◽

First Principles ◽

First Principles Calculations ◽

Photocatalytic Activities

Download Full-text

Change of Average and Local Crystal Structure and Electronic Structure of Li-Rich Solid Solution Cathode Material 0.4Li2MnO3-0.6LiMn1/3Ni1/3Co1/3O2 during Charge-Discharge Process Using First-Principles Calculations and Neutron Beam and Synchrotron X-Ray Sources

ECS Meeting Abstracts ◽

10.1149/ma2015-02/6/508 ◽

2015 ◽

Keyword(s):

Crystal Structure ◽

Solid Solution ◽

Electronic Structure ◽

Cathode Material ◽

First Principles ◽

Discharge Process ◽

First Principles Calculations ◽

X Ray ◽

Local Crystal Structure ◽

Charge Discharge

Download Full-text

Investigation on Average and Local Crystal Structures and Electronic Structure Change of Li-Rich Solid Solution Cathode Material 0.4Li2MnO3-0.6LiMn1/3Ni1/3Co1/3O2 during Charge-Discharge Process Using Neutron Beam and Synchrotron X-Ray Sources and First-Principles Calculations

ECS Meeting Abstracts ◽

10.1149/ma2016-03/2/1007 ◽

2016 ◽

Keyword(s):

Solid Solution ◽

Electronic Structure ◽

Cathode Material ◽

Crystal Structures ◽

First Principles ◽

Structure Change ◽

Discharge Process ◽

First Principles Calculations ◽

X Ray ◽

Charge Discharge

Download Full-text

Tavorite-FeSO4F as a potential cathode material for Mg ion batteries: a first principles calculation

Physical Chemistry Chemical Physics ◽

10.1039/c4cp03176h ◽

2014 ◽

Vol 16 (42) ◽

pp. 22974-22978 ◽

Cited By ~ 10

Author(s):

Jiandong Wu ◽

Guohua Gao ◽

Guangming Wu ◽

Bo Liu ◽

Huiyu Yang ◽

...

Keyword(s):

Cathode Material ◽

First Principles ◽

First Principles Calculation ◽

First Principles Calculations ◽

Ion Diffusion ◽

Diffusion Properties

The electrochemical and Mg ion diffusion properties of tavorite-Mg0.5FeSO4F were studied by using first principles calculations.

Download Full-text

Titanium‐Substituted Tavorite LiFeSO 4 F as Cathode Material for Lithium Ion Batteries: First‐Principles Calculations and Experimental Study

ChemPlusChem ◽

10.1002/cplu.202000301 ◽

2020 ◽

Vol 85 (5) ◽

pp. 900-905 ◽

Cited By ~ 1

Author(s):

Zhendong Guo ◽

Dashuai Wang ◽

Lijie Zhang ◽

Qiang Fu ◽

Yingjin Wei

Keyword(s):

Experimental Study ◽

Cathode Material ◽

Lithium Ion Batteries ◽

First Principles ◽

Lithium Ion ◽

First Principles Calculations

Download Full-text

First-Principles Calculations of Lithium-Ion Migration at a Coherent Grain Boundary in a Cathode Material, LiCoO2

Advanced Materials ◽

10.1002/adma.201202805 ◽

2012 ◽

Vol 25 (4) ◽

pp. 618-622 ◽

Cited By ~ 88

Author(s):

Hiroki Moriwake ◽

Akihide Kuwabara ◽

Craig A. J. Fisher ◽

Rong Huang ◽

Taro Hitosugi ◽

...

Keyword(s):

Grain Boundary ◽

Cathode Material ◽

First Principles ◽

Lithium Ion ◽

First Principles Calculations ◽

Ion Migration

Download Full-text

First-principles calculations of the monoclinic transition-metal doped NaMnO2 cathode material

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

10.1080/14786435.2020.1714770 ◽

2020 ◽

Vol 100 (7) ◽

pp. 917-926

Author(s):

W. Sukkabot

Keyword(s):

Transition Metal ◽

Cathode Material ◽

First Principles ◽

First Principles Calculations ◽

Metal Doped

Download Full-text

Study of the lithium/nickel ions exchange in the layered LiNi0.42Mn0.42Co0.16O2 cathode material for lithium ion batteries: experimental and first-principles calculations

Energy & Environmental Science ◽

10.1039/c3ee42398k ◽

2014 ◽

Vol 7 (3) ◽

pp. 1068 ◽

Cited By ~ 114

Author(s):

Haijun Yu ◽

Yumin Qian ◽

Minoru Otani ◽

Daiming Tang ◽

Shaohua Guo ◽

...

Keyword(s):

Cathode Material ◽

Lithium Ion Batteries ◽

First Principles ◽

Lithium Ion ◽

First Principles Calculations ◽

Nickel Ions

Download Full-text

Ti Substitution in Li5FeO4: A Li-Rich Cathode Material for Li-Ion Batteries from First Principles Calculations

ECS Journal of Solid State Science and Technology ◽

10.1149/2162-8777/ac2d06 ◽

2021 ◽

Author(s):

Anu Maria Augustine ◽

Vishnu Sudarsanan ◽

Ravindran P

Keyword(s):

Cathode Material ◽

First Principles ◽

First Principles Calculations ◽

Li Ion Batteries ◽

Li Ion ◽

Ti Substitution

Download Full-text