Ab initio study of lithium transition metal fluorophosphate cathodes for rechargeable batteries

Journal of Materials Chemistry ◽

10.1039/c1jm10900f ◽

2011 ◽

Vol 21 (32) ◽

pp. 12054 ◽

Author(s):

Jianguo Yu ◽

Kevin M. Rosso ◽

Ji-Guang Zhang ◽

Jun Liu

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Rechargeable Batteries ◽

Ab Initio Study

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Ab initio study of magnetic nanopatterning of a hybrid transition metal dichalcogenides/Ir(111) system via magnetic clusters

Physical Review Materials ◽

10.1103/physrevmaterials.3.094002 ◽

2019 ◽

Vol 3 (9) ◽

Author(s):

Vasile Caciuc ◽

Nicolae Atodiresei ◽

Stefan Blügel

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Transition Metal Dichalcogenides ◽

Magnetic Clusters ◽

Ab Initio Study ◽

Metal Dichalcogenides

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Absence of quantum anomalous Hall state in 4d transition-metal-doped Bi2Se3 : An ab initio study

Physical Review B ◽

10.1103/physrevb.96.174404 ◽

2017 ◽

Vol 96 (17) ◽

Author(s):

Bei Deng ◽

Feng Liu ◽

Junyi Zhu

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Ab Initio Study ◽

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Ab initio study of the complexes of first-row transition-metal ions with CH, CH2, and CH3

Science in China Series B Chemistry ◽

10.1007/bf02874244 ◽

1999 ◽

Vol 42 (3) ◽

pp. 283-289 ◽

Author(s):

Jihai Li ◽

Dacheng Feng ◽

Shengyu Feng

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Transition Metal Ions ◽

Ab Initio Study

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An ab initio study of transition metal clusters

Electronic Structure of Alloys, Surfaces and Clusters ◽

10.1201/9781482288124-19 ◽

2002 ◽

pp. 364-381

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Metal Clusters ◽

Transition Metal Clusters ◽

Ab Initio Study

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On the lubricity of transition metal dichalcogenides: an ab initio study

Nanoscale ◽

10.1039/c7nr00925a ◽

2017 ◽

Vol 9 (17) ◽

pp. 5597-5607 ◽

Author(s):

Benjamin J. Irving ◽

Paolo Nicolini ◽

Tomas Polcar

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Transition Metal Dichalcogenides ◽

Ab Initio Study ◽

Metal Dichalcogenides

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Ab Initio Study of the C–O Bond Dissociation in CO2 Reduction by Redox and Carboxyl Routes on 3d Transition Metal Systems

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c05468 ◽

2021 ◽

Author(s):

Vivianne K. Ocampo-Restrepo ◽

Lucas G. Verga ◽

Juarez L. F. Da Silva

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Co2 Reduction ◽

Ab Initio Study ◽

Bond Dissociation

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Energetics, electronic and magnetic properties of monolayer WSe2 doped with pnictogens, halogens and transition-metal (4d, 5d) atoms: An ab-initio study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2020.114161 ◽

2020 ◽

Vol 124 ◽

pp. 114161

Author(s):

L.B. Mabelet ◽

B.R. Malonda-Boungou ◽

H.B. Mabiala-Poaty ◽

A.T. Raji ◽

B. M'Passi-Mabiala

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

Ab Initio ◽

Ab Initio Study ◽

Electronic And Magnetic Properties

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Transition-metal-element dependence of ideal shear strength and elastic behaviors of γ′-Ni3Al: ab initio study to guide rational alloy design

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2019.07.284 ◽

2019 ◽

Vol 806 ◽

pp. 1260-1266 ◽

Author(s):

Minru Wen ◽

Xing Xie ◽

Yifan Gao ◽

Huafeng Dong ◽

Zhongfei Mu ◽

...

Keyword(s):

Shear Strength ◽

Transition Metal ◽

Ab Initio ◽

Alloy Design ◽

Ab Initio Study ◽

Transition Metal Element ◽

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Ab initio study of Fe adsorption on the (001) surface of transition metal carbides and nitrides

Computational Materials Science ◽

10.1016/j.commatsci.2015.04.053 ◽

2015 ◽

Vol 106 ◽

pp. 149-154 ◽

Author(s):

S.N. Lekakh ◽

N.I. Medvedeva

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Ab Initio Study ◽

Metal Carbides ◽

Transition Metal Carbides

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OS1124 Stress state on 4d transition metal surface : an ab initio study

The Proceedings of the Materials and Mechanics Conference ◽

10.1299/jsmemm.2014._os1124-1_ ◽

2014 ◽

Vol 2014 (0) ◽

pp. _OS1124-1_-_OS1124-2_

Author(s):

Yoshinori SHIIHARA ◽

Masanori KOHYAMA

Keyword(s):

Stress State ◽

Transition Metal ◽

Ab Initio ◽

Metal Surface ◽

Ab Initio Study ◽

Transition Metal Surface

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