most citedFirst-Principles Studies of the Atomic, Electronic, and Magnetic Structure of a-MnO2 (Cryptomelane)

163 citations · 163 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2012★ 163 cited

First-Principles Studies of the Atomic, Electronic, and Magnetic Structure of a-MnO2 (Cryptomelane)

Eric Cockayne, Lan Li

Density functional theory calculations are used to investigate a-MnO2, a structure containing a framework of corner and edge sharing MnO6 octahedra with tunnels in between. Placing…