about
Key scientific challenges in current rechargeable non-aqueous Li-O2 batteries: experiment and theory.Surface orientation effects in crystalline-amorphous silicon interfaces.Metal oxide nanocluster-modified TiO2 as solar activated photocatalyst materials.Density functional theory with van der waals corrections study of the adsorption of alkyl, alkylthiol, alkoxyl, and amino-alkyl chains on the H:Si(111) surface.Symmetry, delocalization, and molecular conductance.In Situ Investigation of Methane Dry Reforming on Metal/Ceria(111) Surfaces: Metal-Support Interactions and C-H Bond Activation at Low Temperature.Modifying ceria (111) with a TiO2 nanocluster for enhanced reactivity.Ab Initio Study of the Atomic Level Structure of the Rutile TiO2(110)-Titanium Nitride (TiN) Interface.Design of Novel Visible Light Active Photocatalyst Materials: Surface Modified TiO2.The atomic level structure of the TiO(2)-NiTi interface.Density functional theory simulation of titanium migration and reaction with oxygen in the early stages of oxidation of equiatomic NiTi alloy.CeO2 catalysed conversion of CO, NO2 and NO from first principles energetics.Predicting Nucleation of Isonicotinamide from the Solvent-Solute Interactions of Isonicotinamide in Common Organic Solvents.Non-classical behaviour of higher valence dopants in chromium (III) oxide by a Cr vacancy compensation mechanism.Binary functionalization of H:Si(111) surfaces by alkyl monolayers with different linker atoms enhances monolayer stability and packing.Optical and microstructural properties of p-type SrCu2O2: First principles modeling and experimental studiesSurface Sensitivity in Lithium-Doping of MgO: A Density Functional Theory Study with Correction for on-Site Coulomb InteractionsDirect Evidence ofFe2+-Fe3+Charge Ordering in the Ferrimagnetic Hematite-IlmeniteFe1.35Ti0.65O3−δThin FilmsSilicon Nanowire Band Gap ModificationHole localization in Al doped silica: A DFT + U descriptionThe surface dependence of CO adsorption on CeriaEffect of La doping on CO adsorption at ceria surfacesReduction of NO2 on ceria surfacesTin oxide-surface modified anatase titanium(IV) dioxide with enhanced UV-light photocatalytic activityOn the interaction of Mg with the (111) and (110) surfaces of ceriaUnravelling the specific site preference in doping of calcium hydroxyapatite with strontium from ab initio investigations and Rietveld analysesReactivity of sub 1 nm supported clusters: (TiO2)n clusters supported on rutile TiO2 (110)Charge transfer in Cr adsorption and reaction at the rutile TiO2(110) surfaceDoping of ceria surfaces with lanthanum: a DFT + U studyHealing of oxygen vacancies on reduced surfaces of gold-doped ceriaCharge transfer and formation of reduced Ce3+ upon adsorption of metal atoms at the ceria (110) surfaceHybrid density functional theory description of N- and C-doping of NiOSurface and interstitial Ti diffusion at the rutile TiO(2)(110) surfaceSurface modification of TiO2 with metal oxide nanoclusters: a route to composite photocatalytic materialsThe p-type conduction mechanism in Cu2O: a first principles studyCharge compensation in trivalent cation doped bulk rutile TiO2Electronic coupling in iron oxide-modified TiO2 leads to a reduced band gap and charge separation for visible light active photocatalysisThe nature of interfaces and charge trapping sites in photocatalytic mixed-phase TiO2 from first principles modelingReduction mechanisms of the CuO(111) surface through surface oxygen vacancy formation and hydrogen adsorptionFirst-principles prediction of new photocatalyst materials with visible-light absorption and improved charge separation: surface modification of rutile TiO₂ with nanoclusters of MgO and Ga₂O₃
P50
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P50
description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Michael Nolan
@ast
Michael Nolan
@en
Michael Nolan
@es
Michael Nolan
@nl
Michael Nolan
@sl
type
label
Michael Nolan
@ast
Michael Nolan
@en
Michael Nolan
@es
Michael Nolan
@nl
Michael Nolan
@sl
prefLabel
Michael Nolan
@ast
Michael Nolan
@en
Michael Nolan
@es
Michael Nolan
@nl
Michael Nolan
@sl
P106
P1153
8502669000
P21
P31
P496
0000-0002-5224-8580