Molybdenum Oxide Clusters: Structure, Stability, and Electronic Properties

First-principles investigations on the mechanism of highly sensitive and selective trimethylamine sensing in MoO3

(2020) Qian Chen et al.   APPLIED SURFACE SCIENCE

Surface chemistry and reactivity of α-MoO3 toward methane: A SCAN-functional based DFT study

(2019) Tianyu Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Activity Descriptors Derived from Comparison of Mo and Fe as Active Metal for Methane Conversion to Aromatics

(2019) Ina Vollmer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ethane oxidative dehydrogenation mechanism on MoO 3 (010) surface: A first-principle study using on-site Coulomb correction

(2018) Chen-Cheng Liao et al.   SURFACE SCIENCE

DFT study on the active site of the monometric molybdenum anchored on silica for the selective oxidation of ethane to acetaldehyde

(2018) XiaoYing Sun et al.   Molecular Catalysis

Photofragmentation dynamics and dissociation energies of MoO and CrO

(2017) Graham A. Cooper et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic properties of reduced molybdenum oxides

(2017) K. Inzani et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydrogen evolution from water using Mo–oxide clusters in the gas phase: DFT modeling of a complete catalytic cycle using a Mo2O4−/Mo2O5− cluster couple

(2016) Manisha Ray et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Rotationally Resolved State-to-State Photoelectron Study of Molybdenum Monoxide Cation (MoO+)

(2015) Zhihong Luo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Identification of molybdenum oxide nanostructures on zeolites for natural gas conversion

(2015) J. Gao et al.   SCIENCE

Origin of the high work function and high conductivity of MoO3

(2014) Yuzheng Guo et al.   APPLIED PHYSICS LETTERS

The Enhancing Effect of Brønsted Acidity of Supported MoOxSpecies on their Activity and Selectivity in Ethylene/trans-2-Butene Metathesis

(2014) Tobias Hahn et al.   ChemCatChem

RH and H2 Production in Reactions between ROH and Small Molybdenum Oxide Cluster Anions

(2014) Sarah E. Waller et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Olefin Metathesis by Supported Metal Oxide Catalysts

(2014) Soe Lwin et al.   ACS Catalysis

Combination of mild hypothermia with neuroprotectants has greater neuroprotective effects during oxygen-glucose deprivation and reoxygenation-mediated neuronal injury

(2014) Xiao-Ya Gao et al.   Scientific Reports

Characterization of reactively sputtered molybdenum oxide films for solar cell application

(2013) H. Simchi et al.   JOURNAL OF APPLIED PHYSICS

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

New Insights on Photocatalytic H2 Liberation from Water Using Transition-Metal Oxides: Lessons from Cluster Models of Molybdenum and Tungsten Oxides

(2013) Raghunath O. Ramabhadran et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

Structures of trimetallic molybdenum and tungsten suboxide cluster anions

(2011) David W. Rothgeb et al.   JOURNAL OF CHEMICAL PHYSICS

Antimicrobial activity of transition metal acid MoO3 prevents microbial growth on material surfaces

(2011) Cordt Zollfrank et al.   Materials Science & Engineering C-Materials for Biological Applications

Electronic structure of molybdenum-oxide films and associated charge injection mechanisms in organic devices

(2011) Jens Meyer   Journal of Photonics for Energy

MoO3 Films Spin-Coated from a Nanoparticle Suspension for Efficient Hole-Injection in Organic Electronics

(2010) Jens Meyer et al.   ADVANCED MATERIALS

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

Origin of ferromagnetism in molybdenum dioxide fromab initiocalculations

(2010) Jawad Nisar et al.   PHYSICAL REVIEW B

Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf–Pt

(2009) Detlev Figgen et al.   JOURNAL OF CHEMICAL PHYSICS

Reversible Lithium-Ion Insertion in Molybdenum Oxide Nanoparticles

(2008) Se-Hee Lee et al.   ADVANCED MATERIALS

DFT study of molybdena–silica system – A selection of density functionals based on their performance in thermochemistry of molybdenum compounds

(2008) Jarosław Handzlik   CHEMICAL PHYSICS LETTERS