Literature DB >> 26225908

First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5.

Gopalakrishnan Sai Gautam1, Pieremanuele Canepa, Rahul Malik, Miao Liu, Kristin Persson, Gerbrand Ceder.   

Abstract

A systematic first-principles evaluation of the insertion behavior of multi-valent cations in orthorhombic V2O5 is performed. Layer spacing, voltage, phase stability, and ion mobility are computed for Li(+), Mg(2+), Zn(2+), Ca(2+), and Al(3+) intercalation in the α and δ polymorphs.

Entities:  

Year:  2015        PMID: 26225908     DOI: 10.1039/c5cc04947d

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN: 1359-7345            Impact factor:   6.222


  4 in total

1.  Exfoliation, point defects and hydrogen storage properties of monolayer TiS3: an ab initio study.

Authors:  M Yu Arsentev; A V Petrov; A B Missyul; M Hammouri
Journal:  RSC Adv       Date:  2018-07-20       Impact factor: 4.036

2.  High magnesium mobility in ternary spinel chalcogenides.

Authors:  Pieremanuele Canepa; Shou-Hang Bo; Gopalakrishnan Sai Gautam; Baris Key; William D Richards; Tan Shi; Yaosen Tian; Yan Wang; Juchuan Li; Gerbrand Ceder
Journal:  Nat Commun       Date:  2017-11-24       Impact factor: 14.919

3.  Analysis of Minerals as Electrode Materials for Ca-based Rechargeable Batteries.

Authors:  A Torres; F J Luque; J Tortajada; M E Arroyo-de Dompablo
Journal:  Sci Rep       Date:  2019-07-04       Impact factor: 4.379

4.  Cation reordering instead of phase transitions: Origins and implications of contrasting lithiation mechanisms in 1D ζ- and 2D α-V2O5.

Authors:  Yuting Luo; Shahed Rezaei; David A Santos; Yuwei Zhang; Joseph V Handy; Luis Carrillo; Brian J Schultz; Leonardo Gobbato; Max Pupucevski; Kamila Wiaderek; Harry Charalambous; Andrey Yakovenko; Matt Pharr; Bai-Xiang Xu; Sarbajit Banerjee
Journal:  Proc Natl Acad Sci U S A       Date:  2022-01-25       Impact factor: 12.779

  4 in total

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