4.7 Article

Molecular dynamics simulation as a tool for prediction of the properties of TiO2 and TiO2:MoO3 based chemical gas sensors

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

The effect of PTFE on the physical compatibility and mechanical performance of Al-MoO3 mechanically activated energetic composites

Jun Tao et al.

Summary: The study investigated the impact of PTFE on the physical compatibility and mechanical performance of Al-MoO3 mechanically activated energetic composites. Results showed that PTFE significantly improves the compatibility of Al-MoO3, while decreasing rigidity and strength but not affecting ductility significantly.

JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY (2021)

Article Chemistry, Physical

Water (Non-)Interaction with MoO3

Ashley R. Head et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2019)

Article Chemistry, Inorganic & Nuclear

The role of structural features in heterogeneous catalytic oxidation of H2 on TiO2:MoO3 nanocomposites

N. E. Boboriko et al.

JOURNAL OF SOLID STATE CHEMISTRY (2019)

Article Chemistry, Physical

Water Adsorption on Clean and Defective Anatase TiO2 (001) Nanotube Surfaces: A Surface Science Approach

Stephane Kenmoe et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2018)

Article Chemistry, Physical

Dynamics at a Peptide TiO2 Anatase (101) Interface

Marco Polimeni et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2017)

Article Nanoscience & Nanotechnology

TiO2-Based Nanomaterials for Gas Sensing-Influence of Anatase and Rutile Contributions

K. Zakrzewska et al.

NANOSCALE RESEARCH LETTERS (2017)

Article Nanoscience & Nanotechnology

TiO2-Based Nanomaterials for Gas Sensing-Influence of Anatase and Rutile Contributions

K. Zakrzewska et al.

NANOSCALE RESEARCH LETTERS (2017)

Article Physics, Applied

Band energy control of molybdenum oxide by surface hydration

Keith T. Butler et al.

APPLIED PHYSICS LETTERS (2015)

Article Chemistry, Physical

Simplified TiO2 force fields for studies of its interaction with biomolecules

Binquan Luan et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Chemistry, Physical

Adsorption of C and CHX Radicals on Anatase (001) and the Influence of Oxygen Vacancies

Stijn Huygh et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2015)

Article Chemistry, Physical

Systematic Optimization of a Force Field for Classical Simulations of TiO2-Water Interfaces

Erik G. Brandt et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2015)

Article Nanoscience & Nanotechnology

TiO2-Based Gas Sensor: A Possible Application to SO2

Jawad Nisar et al.

ACS APPLIED MATERIALS & INTERFACES (2013)

Article Materials Science, Multidisciplinary

Thermally Stimulated Transformations of Sol-Gel Derived TiO2/MoO3 Composites

N. E. Boboriko et al.

INORGANIC MATERIALS (2013)

Article Chemistry, Physical

Modification of the catalytic properties of MoO2-x(OH)y dispersed on TiO2 by Pt and Cs additives

H. Al-Kandari et al.

APPLIED CATALYSIS A-GENERAL (2012)

Article Chemistry, Physical

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

Yan-Hua Lei et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2012)

Article Chemistry, Physical

A Force Field for the Interaction of Water with TiO2 Surfaces

Mozhgan Alimohammadi et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2011)

Article Chemistry, Physical

On the Mechanism of Protein Adsorption onto Hydroxylated and Nonhydroxylated TiO2 Surfaces

Yu Kang et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2010)

Article Chemistry, Analytical

New perspectives of gas sensor technology

Noboru Yamazoe et al.

SENSORS AND ACTUATORS B-CHEMICAL (2009)

Review Chemistry, Physical

Chemistry of and on TiO2-anatase surfaces by DFT calculations:: a partial review

Andrea Vittadini et al.

THEORETICAL CHEMISTRY ACCOUNTS (2007)

Article Chemistry, Physical

Oxidative dehydrogenation of ethane and propane over vanadia and molybdena supported catalysts

E Heracleous et al.

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2005)

Article Chemistry, Multidisciplinary

Mechanisms of methane activation and transformation on molybdenum oxide based catalysts

G Fu et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)

Article Chemistry, Physical

Molecular dynamics simulation of water in a contact with an iron pyrite FeS2 surface

MR Philpott et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

Density functional theoretical study of water molecular adsorption on surface of MoO3 with the cluster model

XF Song et al.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2004)

Article Chemistry, Multidisciplinary

UCSF chimera - A visualization system for exploratory research and analysis

EF Pettersen et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)

Article Chemistry, Analytical

Investigation of sol-gel prepared CeO2-TiO2 thin films for oxygen gas sensing

A Trinchi et al.

SENSORS AND ACTUATORS B-CHEMICAL (2003)

Article Chemistry, Analytical

Hydrogen sensing using titania nanotubes

OK Varghese et al.

SENSORS AND ACTUATORS B-CHEMICAL (2003)

Article Chemistry, Analytical

Gas sensing properties of p-type semiconducting Cr-doped TiO2 thin films

YX Li et al.

SENSORS AND ACTUATORS B-CHEMICAL (2002)

Article Chemistry, Analytical

Nanocrystalline V2O5-TiO2 thin-films for oxygen sensing prepared by sol-gel process

S Zhuiykov et al.

SENSORS AND ACTUATORS B-CHEMICAL (2001)

Article Chemistry, Multidisciplinary

The chemical nature of surface point defects on MoO3(010):: Adsorption of hydrogen and methyl

M Chen et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)

Article Biochemistry & Molecular Biology

Structure and adsorption properties of MoO3: insights from periodic density functional calculations

XL Yin et al.

JOURNAL OF MOLECULAR MODELING (2001)