SIMULATION ON THE EDGE

Parker, Steve (PI)

Department of Chemistry

Project: Research council

Status	Finished
Effective start/end date	16/02/05 → 15/02/08

Funding

Engineering and Physical Sciences Research Council

Related content

Research Output

The structure and dynamics of hydrated and hydroxylated magnesium oxide nanoparticles

Research output: Contribution to journal › Article

Reactivity on the (110) Surface of Ceria: A GGA+U Study of Surface Reduction and the Adsorption of CO and NO2

Research output: Contribution to journal › Article

Atomistic modelling of adsorption and segregation at inorganic solid interfaces

Research output: Contribution to journal › Article

Structural characterization of amorphous alumina and its polymorphs from first-principles XPS and NMR calculations

Research output: Contribution to journal › Article

Free energy change of aggregation of nanoparticles

Research output: Contribution to journal › Article

Lithium insertion and transport in the TiO2-B anode material: A computational study

Research output: Contribution to journal › Article