@article{31826, author = {Gopalakrishnan Sai Gautam and Pieremanuele Canepa and Rahul Malik and Miao Liu and Kristin A Persson and Gerbrand Ceder}, title = {First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5}, 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+ , Mg2+, Zn2+, Ca2+, and Al3+ intercalation in the a and d polymorphs.

}, year = {2015}, journal = {Chemical Communications}, volume = {51}, pages = {13619 - 13622}, month = {07/2015}, issn = {1359-7345}, doi = {10.1039/C5CC04947D}, language = {eng}, }