4.6 Article

Comparative Study of Phosgene Gas Sensing Using Carbon and Boron Nitride Nanomaterials-A DFT Approach

Related references

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

Structural and Electronic properties of PVK/C60 Nanoheterostructure interfaces- A DFT Approach

V. W. Elloh et al.

SURFACES AND INTERFACES (2020)

Article Chemistry, Physical

Adsorption sensitivity of pristine and Al- or Si-doped boron nitride nanoflake to COCl2: a DFT study

Roghayeh Moladoust et al.

MOLECULAR PHYSICS (2019)

Article Biochemical Research Methods

DFT results against experimental data for electronic properties of C60 and C70 fullerene derivatives

Zahra Rostami et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2018)

Article Physics, Condensed Matter

The interaction of phosgene gas with different BN nanocones: DFT studies

Akram Hosseinian et al.

SOLID STATE COMMUNICATIONS (2018)

Article Multidisciplinary Sciences

Understanding band gaps of solids in generalized Kohn-Sham theory

John P. Perdew et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2017)

Article Chemistry, Multidisciplinary

Ethyl benzene detection by BN nanotube: DFT studies

Maziar Noei et al.

JOURNAL OF SAUDI CHEMICAL SOCIETY (2017)

Article Materials Science, Multidisciplinary

Adsorption properties of the phosgene molecule on pristine graphyne, BN- and Si-doped graphynes: DFT study

Zahra Felegari et al.

RESULTS IN PHYSICS (2017)

Article Materials Science, Multidisciplinary

Band structure diagram paths based on crystallography

Yoyo Hinuma et al.

COMPUTATIONAL MATERIALS SCIENCE (2017)

Article Chemistry, Physical

A novel fullerene-like B30N30 structure: Stability and electronic property

Deqiang Yin et al.

CARBON (2016)

Article Physics, Multidisciplinary

Adsorption behavior of 5-fluorouracil on pristine, B-, Si-, and Al-doped C60 fullerenes: A first-principles study

Mehrnoosh Khodam Hazrati et al.

PHYSICS LETTERS A (2016)

Article Materials Science, Multidisciplinary

Carbon nanotubes: controlled growth and application

Chang Liu et al.

MATERIALS TODAY (2013)

Article Chemistry, Analytical

A comparative theoretical study of CO2 sensing using inorganic AlN, BN and SiC single walled nanotubes

Zabiollah Mahdavifar et al.

SENSORS AND ACTUATORS B-CHEMICAL (2013)

Article Engineering, Electrical & Electronic

AIN nanotube as a potential electronic sensor for nitrogen dioxide

Javad Beheshtian et al.

MICROELECTRONICS JOURNAL (2012)

Article Chemistry, Analytical

Detection of phosgene by Sc-doped BN nanotubes: A DFT study

Javad Beheshtian et al.

SENSORS AND ACTUATORS B-CHEMICAL (2012)

Review Physics, Condensed Matter

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2009)

Article Chemistry, Physical

Polyaniline Nanofiber Composites with Amines: Novel Materials for Phosgene Detection

Shabnam Virji et al.

NANO RESEARCH (2009)

Article Chemistry, Analytical

Monitoring of toxic compounds in air using a handheld rectilinear ion trap mass spectrometer

Adam Keil et al.

ANALYTICAL CHEMISTRY (2008)

Article Chemistry, Multidisciplinary

Purity analysis of hydrogen cyanide, cyanogen chloride and phosgene by quantitative 13C NMR spectroscopy

Terry J. Henderson et al.

MAGNETIC RESONANCE IN CHEMISTRY (2007)

Article Chemistry, Multidisciplinary

A FRET approach to phosgene detection

Hexiang Zhang et al.

CHEMICAL COMMUNICATIONS (2007)

Article Materials Science, Multidisciplinary

Ab initio calculations of the lattice dynamics of boron nitride nanotubes -: art. no. 045425

L Wirtz et al.

PHYSICAL REVIEW B (2003)

Article Chemistry, Multidisciplinary

Conventional analytical methods for chemical warfare agents

HH Hill et al.

PURE AND APPLIED CHEMISTRY (2002)