Lithium and oxygen adsorption at the β-MnO2 (110) surface

Nanostructuring of β-MnO2: The Important Role of Surface to Bulk Ion Migration

(2013) David A. Tompsett et al.   CHEMISTRY OF MATERIALS

First-principles DFT+U studies of the atomic, electronic, and magnetic structure of α-MnO2 (cryptomelane)

(2012) Eric Cockayne et al.   CHEMICAL PHYSICS LETTERS

Density functional theory study of rutile VO2 surfaces

(2012) Thomas A. Mellan et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic Structure of Lithium Peroxide Clusters and Relevance to Lithium–Air Batteries

(2012) Kah Chun Lau et al.   Journal of Physical Chemistry C

Importance of anisotropic Coulomb interactions and exchange to the band gap and antiferromagnetism ofβ-MnO2from DFT+U

(2012) D. A. Tompsett et al.   PHYSICAL REVIEW B

Electrocatalysts for Nonaqueous Lithium–Air Batteries: Status, Challenges, and Perspective

(2012) Yuyan Shao et al.   ACS Catalysis

Non-Aqueous and Hybrid Li-O2 Batteries

(2012) Robert Black et al.   Advanced Energy Materials

First-Principles Calculations of Clean, Oxidized, and Reduced β-MnO2 Surfaces

(2011) Gloria A. E. Oxford et al.   Journal of Physical Chemistry C

A Critical Review of Li/Air Batteries

(2011) Jake Christensen et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Li–O2 and Li–S batteries with high energy storage

(2011) Peter G. Bruce et al.   NATURE MATERIALS

On the difficulties of present theoretical models to predict the oxidation state of atomic Au adsorbed on regular sites of CeO[sub 2](111)

(2009) María Marta Branda et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic charge transfer between ceria surfaces and gold adatoms: a GGA+U investigation

(2009) Norge C. Hernández et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Atomistic simulation of the surface structure of electrolytic manganese dioxide

(2009) R.R. Maphanga et al.   SURFACE SCIENCE

Building better batteries

(2008) M. Armand et al.   NATURE

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS