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author = "Watkins, MB"
1

Found 6 documents, displaying page 1 of 1

Manipulation of defects on oxide surfaces via barrier reduction induced by atomic force microscope tips

Author(s) : Watkins, MB , Shluger, AL
Description : We used theoretical modeling to propose possible mechanisms of defect manipulation using a noncontact atomic force microscope (NC-AFM) on a generic oxide, MgO. First, we simulated NC-AFM images of a Ca substitutional defect on the MgO surface aiming to help identify a site where tip polarity could b...
Repository : UCL Eprints
Language(s) : Undetermined

Transient Mobility Mechanisms of Deposited Metal Atoms on Insulating Surfaces: Pd on MgO (100)

Author(s) : Gao, DZ , Watkins, MB , Shluger, AL
Description :
Repository : UCL Eprints
Language(s) : Undetermined

Hydrogen cycle on CeO2 (111) surfaces: Density functional theory calculations

Author(s) : Watkins, MB , Foster, AS , Shluger, AL
Description : We studied the interaction of perfect and lightly reduced ceria (111) surfaces with hydrogen and water molecules using density functional calculations implementing the generalized gradient approximation (GGA) and onsite Coulomb interactions (GGA+U). We predicted the relative surface energies at diff...
Repository : UCL Eprints
Language(s) : Undetermined

Construction of nano- and microporous frameworks from octahedral bubble clusters

Author(s) : Woodley, SM , Watkins, MB , Sokol, AA , Shevlin, SA , Catlow, CRA
Description : We report a general method of constructing microporous, cubic frameworks from eight different high symmetry small clusters of ZnO, which were previously predicted via the application of an evolutionary algorithm. Using interatomic potentials, the lattice energies of the structures formed are compute...
Repository : UCL Eprints
Language(s) : Undetermined

Bubbles and microporous frameworks of silicon carbide

Author(s) : Watkins, MB , Shevlin, SA , Sokol, AA , Slater, B , Catlow, CRA , Woodley, SM
Description : We report the results of density functional theory calculations on nanostructures of SiC, including single clusters, cluster dimers, and nanoporous cluster frameworks. Our results show that at the nanoscale, there is significant charge transfer of 2.5 vertical bar e vertical bar from Si to C atoms, ...
Repository : UCL Eprints
Language(s) : Undetermined

Determining Adsorption Geometry, Bonding, and Translational Pathways of a Metal-Organic Complex on an Oxide Surface: Co-Salen on NiO(001)

Author(s) : Schwarz, A , Gao, DZ , Laemmle, K , Grenz, J , Watkins, MB , Shluger, AL , Wiesendanger, R
Description :
Repository : UCL Eprints
Language(s) : Undetermined
1

Found 6 documents, displaying page 1 of 1