Theoretical study on efficient HF gas sensing by functionalized, decorated, and doped nanocone strategy

Weak intermolecular interactions of cysteine on BNNT, BNAlNT and BC2NNT: a DFT investigation

(2022) Mohsen Doust Mohammadi et al.   BULLETIN OF MATERIALS SCIENCE

Trapping of CO, CO2, H2S, NH3, NO, NO2, and SO2 by polyoxometalate compound

(2022) Mohsen Doust Mohammadi et al.   Computational and Theoretical Chemistry

Intermolecular Interactions between Nitrosourea and Polyoxometalate compounds

(2022) Mohsen Doust Mohammadi et al.   ChemistrySelect

Adsorption of alkali and alkaline earth ions on nanocages using density functional theory

(2021) Mohsen Doust Mohammadi et al.   Computational and Theoretical Chemistry

DFT Study of HF and H2O Adsorption on Zn and Ga-Doped Single-Walled Carbon Nanotube

(2020) Ahmed j. Hassan   Russian Journal of Physical Chemistry A

Hydrogen storage on uncharged and positively charged Mg-decorated graphene

(2019) Zahra Amaniseyed et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

The adsorption of bromomethane onto the exterior surface of aluminum nitride, boron nitride, carbon, and silicon carbide nanotubes: A PBC-DFT, NBO, and QTAIM study

(2018) Mohsen Doust Mohammadi et al.   Computational and Theoretical Chemistry

Ab Initio Computational Study of Chromate Molecular Anion Adsorption on the Surfaces of Pristine and B- or N-Doped Carbon Nanotubes and Graphene

(2017) Yuriy Hizhnyi et al.   Nanoscale Research Letters

High-efficient physical adsorption and detection of formaldehyde using Sc- and Ti-decorated graphdiyne

(2017) Xi Chen et al.   PHYSICS LETTERS A

Ab Initio Computational Study of Chromate Molecular Anion Adsorption on the Surfaces of Pristine and B- or N-Doped Carbon Nanotubes and Graphene

(2017) Yuriy Hizhnyi et al.   Nanoscale Research Letters

Sensing properties of BN nanotube toward carcinogenic 4-chloroaniline: A computational study

(2016) Majid Eslami et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Highly selective ZnO gas sensor based on MOSFET having a horizontal floating-gate

(2016) Yoonki Hong et al.   SENSORS AND ACTUATORS B-CHEMICAL

Fluctuation enhanced gas sensing with WO 3 -based nanoparticle gas sensors modulated by UV light at selected wavelengths

(2016) Maciej Trawka et al.   SENSORS AND ACTUATORS B-CHEMICAL

Investigation of the H 2 S poisoning process for sensing composite material based on carbon nanotubes and metal oxides

(2016) Yichen Duan et al.   SENSORS AND ACTUATORS B-CHEMICAL

A novel design of engineered multi-walled carbon nanotubes material and its improved performance in simultaneous detection of Cd(II) and Pb(II) by square wave anodic stripping voltammetry

(2016) Xueying Li et al.   SENSORS AND ACTUATORS B-CHEMICAL

Carbon nanocone as an electronic sensor for HCl gas: Quantum chemical analysis

(2016) E. Vessally et al.   VACUUM

Theoretical Study on the Al-Doped ZnO Nanoclusters for CO Chemical Sensors

(2015) Nasser L. Hadipour et al.   Journal of Physical Chemistry C

Al-decorated carbon nanotube as the molecular hydrogen storage medium

(2014) S. Seenithurai et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Effect of substitutional carbon-doping in BNNTs on HF adsorption: DFT study

(2014) Jasleen Kaur et al.   SUPERLATTICES AND MICROSTRUCTURES

DFT study of the dissociative adsorption of HF on an AlN nanotube

(2013) Maziar Noei et al.   COMPTES RENDUS CHIMIE

Effect of Hydrogen Molecule Dissociation on Hydrogen Storage Capacity of Graphene with Metal Atom Decorated

(2013) Shuaishuai Cui et al.   Journal of Physical Chemistry C

Effects of Al Doping and Double-Antisite Defect on the Adsorption of HCN on a BC2N Nanotube: Density Functional Theory Studies

(2013) Ali Ahmadi Peyghan et al.   Journal of Physical Chemistry C

Properties and applications of chemically functionalized graphene

(2013) M F Craciun et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A theoretical study of H2S adsorption on graphene doped with B, Al and Ga

(2013) Sheetal Sharma et al.   PHYSICA B-CONDENSED MATTER

Ammonia monitoring by carbon nitride nanotubes: A density functional study

(2013) Javad Beheshtian et al.   THIN SOLID FILMS

Hydrogen dissociation on diene-functionalized carbon nanotubes

(2012) Javad Beheshtian et al.   JOURNAL OF MOLECULAR MODELING

Can aluminum nitride nanotubes detect the toxic NH3 molecules?

(2012) Ali Ahmadi Peyghan et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

B-doping makes the carbon nanocones sensitive towards NO molecules

(2012) Mohammad T. Baei et al.   PHYSICS LETTERS A

Adsorption properties and quantum molecular descriptors of OCN− adsorbed on (6,0), (7,0), and (8,0) zigzag single-walled boron nitride nanotubes: a computational study

(2011) Mohammad T. Baei   MONATSHEFTE FUR CHEMIE

Chemically Engineered Single-Walled Carbon Nanotube Materials for the Electronic Detection of Hydrogen Chloride

(2010) Elena Bekyarova et al.   ADVANCED MATERIALS

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanical properties of nickel-coated single-walled carbon nanotubes and their embedded gold matrix composites

(2009) Hai-Yang Song et al.   PHYSICS LETTERS A

Electronic properties of single-walled carbon nanotubes under electric and magnetic fields

(2007) P.L. Lai et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES