Vacancy formation in MoO3: hybrid density functional theory and photoemission experiments

Origin of the high work function and high conductivity of MoO3

(2014) Yuzheng Guo et al.   APPLIED PHYSICS LETTERS

Influence of the Oxygen Substoichiometry and of the Hydrogen Incorporation on the Electronic Band Structure of Amorphous Tungsten Oxide Films

(2014) Maria Vasilopoulou et al.   Journal of Physical Chemistry C

Impact of lattice distortion and electron doping on α-MoO3 electronic structure

(2014) Peng-Ru Huang et al.   Scientific Reports

Enhanced Extraction Rates through Gap States of Molybdenum Oxide Anode Buffer

(2013) Binayak Dasgupta et al.   Journal of Physical Chemistry C

The Influence of Functionals on Density Functional Theory Calculations of the Properties of Reducible Transition Metal Oxide Catalysts

(2013) Andrew “Bean” Getsoian et al.   Journal of Physical Chemistry C

Effect of the Oxygen Sub-Stoichiometry and of Hydrogen Insertion on the Formation of Intermediate Bands within the Gap of Disordered Molybdenum Oxide Films

(2013) Ioannis Kostis et al.   Journal of Physical Chemistry C

Hydrogen defects in tetragonal ZrO2studied using density functional theory

(2013) Mostafa Youssef et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Transition Metal Oxide Work Functions: The Influence of Cation Oxidation State and Oxygen Vacancies

(2012) Mark T. Greiner et al.   ADVANCED FUNCTIONAL MATERIALS

DFT+U Study of Properties of MoO3 and Hydrogen Adsorption on MoO3(010)

(2012) Yan-Hua Lei et al.   Journal of Physical Chemistry C

The Influence of Hydrogenation and Oxygen Vacancies on Molybdenum Oxides Work Function and Gap States for Application in Organic Optoelectronics

(2012) Maria Vasilopoulou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density Functional Theory Study of Acetaldehyde Hydrodeoxygenation on MoO3

(2011) Donghai Mei et al.   Journal of Physical Chemistry C

Universal energy-level alignment of molecules on metal oxides

(2011) Mark T. Greiner et al.   NATURE MATERIALS

Electronic structure of MoO2. DFT periodic and cluster model studies

(2010) Renata Tokarz-Sobieraj et al.   APPLIED CATALYSIS A-GENERAL