A combined first principles and experimental study on Na3V2(PO4)2F3 for rechargeable Na batteries

Journal of Materials Chemistry ◽

10.1039/c2jm33862a ◽

2012 ◽

Vol 22 (38) ◽

pp. 20535 ◽

Author(s):

R. A. Shakoor ◽

Dong-Hwa Seo ◽

Hyungsub Kim ◽

Young-Uk Park ◽

Jongsoon Kim ◽

...

Keyword(s):

Experimental Study ◽

First Principles

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Experimental study, first-principles calculation and thermodynamic modelling of the Cr–Fe–Nb–Sn–Zr quinary system for application as cladding materials in nuclear reactors.

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2020.152692 ◽

2021 ◽

Vol 544 ◽

pp. 152692

Author(s):

Paul Lafaye ◽

Caroline Toffolon-Masclet ◽

Jean-Claude Crivello ◽

Jean-Marc Joubert

Keyword(s):

Experimental Study ◽

First Principles ◽

Nuclear Reactors ◽

Thermodynamic Modelling ◽

First Principles Calculation ◽

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Edge-Propagation Discharge Mechanism in CFx Batteries—A First-Principles and Experimental Study

Chemistry of Materials ◽

10.1021/acs.chemmater.0c04676 ◽

2021 ◽

Author(s):

Kevin Leung ◽

Noah B. Schorr ◽

Matthew Mayer ◽

Timothy N. Lambert ◽

Y. Shirley Meng ◽

...

Keyword(s):

Experimental Study ◽

First Principles ◽

Discharge Mechanism

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Cyclic oxidation behavior of Al-Si coating on new γ′-strengthened cobalt-based superalloy: Experimental study and first-principles calculation

Corrosion Science ◽

10.1016/j.corsci.2021.109422 ◽

2021 ◽

Vol 185 ◽

pp. 109422

Author(s):

Kanglu Feng ◽

Meifeng Li ◽

Mingyue Chen ◽

Zhen Li ◽

Jiangbo Sha ◽

...

Keyword(s):

Experimental Study ◽

First Principles ◽

Cyclic Oxidation ◽

Oxidation Behavior ◽

First Principles Calculation

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Effects of Pt on the elastic properties of B2 NiAl: A combined first-principles and experimental study

Acta Materialia ◽

10.1016/j.actamat.2006.01.010 ◽

2006 ◽

Vol 54 (9) ◽

pp. 2361-2369 ◽

Author(s):

C. Jiang ◽

D.J. Sordelet ◽

B. Gleeson

Keyword(s):

Experimental Study ◽

Elastic Properties ◽

First Principles

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Combined first-principles calculations and experimental study on the photocatalytic mechanism of natural dolomite

RSC Advances ◽

10.1039/d1ra04525c ◽

2021 ◽

Vol 11 (39) ◽

pp. 24416-24423

Author(s):

Xiaomin Hou ◽

Qi Cheng ◽

Jianrong Wang ◽

Qingfeng Wu ◽

Weibin Zhang

Keyword(s):

Experimental Study ◽

Photocatalytic Activity ◽

First Principles ◽

Low Cost ◽

Isomorphous Substitution ◽

First Principles Calculations ◽

Photocatalytic Mechanism

Natural dolomite exhibits notable photocatalytic activity due to the isomorphous substitution of Fe2+ for Mg2+ in the lattice, implying that it can be used as a low-cost photocatalyst.

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Magnetocrystalline anisotropy of Fe5PB2 and its alloys with Co and 5d elements: A combined first-principles and experimental study

Physical Review B ◽

10.1103/physrevb.98.214431 ◽

2018 ◽

Vol 98 (21) ◽

Author(s):

Mirosław Werwiński ◽

Alexander Edström ◽

Ján Rusz ◽

Daniel Hedlund ◽

Klas Gunnarsson ◽

...

Keyword(s):

Experimental Study ◽

First Principles ◽

Magnetocrystalline Anisotropy

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Pt modified ultrafine WO3 nanofibers: A combined first-principles and experimental study

Materials Letters ◽

10.1016/j.matlet.2018.10.117 ◽

2019 ◽

Vol 236 ◽

pp. 267-270 ◽

Author(s):

Ke Sun ◽

Qifang Lu ◽

Chaoqun Ma ◽

Mingzhi Wei

Keyword(s):

Experimental Study ◽

First Principles

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Modelling and prediction of hardness in multi-component alloys: A combined machine learning, first principles and experimental study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2020.156959 ◽

2021 ◽

Vol 853 ◽

pp. 156959 ◽

Author(s):

Ling Qiao ◽

Zhonghong Lai ◽

Yong Liu ◽

Aorigele Bao ◽

Jingchuan Zhu

Keyword(s):

Machine Learning ◽

Experimental Study ◽

First Principles

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First Principles and Experimental Study of Surface Redox Reactions in Li2MnO3

ECS Meeting Abstracts ◽

10.1149/ma2014-04/4/608 ◽

2014 ◽

Keyword(s):

Experimental Study ◽

First Principles ◽

Redox Reactions ◽

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The combined first principles and experimental study of O-doped KMnF3 as a cathode for potassium-ion batteries

Applied Surface Science ◽

10.1016/j.apsusc.2020.145954 ◽

2020 ◽

Vol 514 ◽

pp. 145954

Author(s):

Shuya Wang ◽

Yaxin Chen ◽

Bin Cui ◽

Bo Li ◽

Shuxuan Wang ◽

...

Keyword(s):

Experimental Study ◽

First Principles ◽

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