Reactivity of Transition-Metal Compounds from Electronic Structure
Doktorsavhandling, 2009

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magnetic edge states

electronic structure

density-functional theory

growth

surface states and resonances

nitrides

density of states

hydrodesulphurisation

sulphides

steam reforming

transition-metal carbides

Bronsted-Evans Polanyi relation

scaling relations

adsorption

descriptor

reactivity

catalysis

Författare

Aleksandra Vojvodic

Chalmers, Teknisk fysik, Material- och ytteori

Inkluderade delarbeten

From Electronic Structure to Catalytic Activity: A Single Descriptor for Adsorption and Reactivity on Transition-Metal Carbides

Physical Review Letters,;Vol. 103(2009)p. 146103-

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Steam Reforming on Transition-Metal Carbides from Density-Functional Theory

Catalysis Letters,;Vol. 142(2012)p. 728-735

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Chracterization of MoS2 Magnetic States Using Density-Functional Theory

Physical Review B - Condensed Matter and Materials Physics,;Vol. 80(2009)p. 125416-

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Nature of Versatile Chemisorption on TiC(111) and TiN(111) Surfaces

Solid State Communications,;Vol. 141(2007)p. 48-52

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Trends in bulk electron-structural features of rocksalt early transition-metal carbides

Journal of Physics Condensed Matter,;Vol. 22(2010)

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TEM and DFT investigation of CVD TiN/κ–Al2O3 multilayer coatings

Surface and Coatings Technology,;Vol. 202(2007)p. 522-531

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Nature of Chemisorption on Titanium Carbide and Nitride

Surface Science,;Vol. 600(2006)p. 1612-

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Trends in Atomic Adsorption on Titanium Carbide and Nitride

Surface Science,;Vol. 600(2006)p. 3619-3623

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Kategorisering

Ämneskategorier (SSIF 2011)

Övrig annan teknik

Den kondenserade materiens fysik

Identifikatorer

ISBN

978-91-7385-335-4

Övrigt

Serie

Doktorsavhandlingar vid Chalmers tekniska högskola. Ny serie: 3016

Examination

2009-12-14 14:15

FB-salen, Fysikgården 4, Göteborg

Opponent: Professor Talat Rahman, University of Central Florida, USA

Mer information

Skapat

2017-10-07