Ab-initio Modeling of Sc-doped SnS2 monolayer in context of Field-Effect Transistor based Gas Sensor

Induced magnetic states upon electron–hole injection at B and N sites of hexagonal boron nitride bilayer: A density functional theory study

(2021) B. Chettri et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

SOF2 sensing by Rh-doped PtS2 monolayer for early diagnosis of partial discharge in the SF6 insulation device

(2021) Peng Li et al.   MOLECULAR PHYSICS

Density functional study on hybrid graphene/h-BN 2D sheets

(2021) Vishal Thakur et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Ab-initio modelling for gas sensor device: based on Y-doped SnS2 monolayer

(2021) Swati Verma et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Adsorption of C2H2, CH4 and CO on Mn-doped graphene: Atomic, electronic, and gas-sensing properties

(2020) Yingang Gui et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Density functional study on hybrid h-BN/graphene atomic chains

(2020) Vishal Thakur et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Sc2CO2 and Mn-doped Sc2CO2 as gas sensor materials to NO and CO: A first-principles study

(2019) Danxi Yang et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Effects of Eu3+ co-doping on the structural and optical properties of Ce3+ doped ZnO powder synthesized by chemical bath deposition method

(2019) Moipone A. Malimabe et al.   PHYSICA B-CONDENSED MATTER

Adsorption of NO x (x = 1, 2) gas molecule on pristine and B atom embedded γ-graphyne based on first-principles study

(2018) Yanhua Guo et al.   APPLIED SURFACE SCIENCE

Enhanced gas-sensing performance of graphene by doping transition metal atoms: A first-principles study

(2018) Dongxiang Zhao et al.   PHYSICS LETTERS A

Nitrogen Dioxide Gas Sensor Based on Monolayer SnS: A First-Principle Study

(2017) Fa-Fei Hu et al.   IEEE ELECTRON DEVICE LETTERS

A first-principles study of Sc-decorated graphene with pyridinic-N defects for hydrogen storage

(2017) Zhifen Luo et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Morphologically-dependent photocatalytic and gas sensing application of Dy-doped ZnO nanoparticles

(2017) Sonik Bhatia et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Comparative study on gas sensing properties of rare earth (Tb, Dy and Er) doped ZnO sensor

(2017) Anita Hastir et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

A theoretical simulation of small-molecules sensing on an S-vacancy SnS2 monolayer

(2017) Rumeng Zhao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Adsorption of small inorganic molecules on a defective MoS2 monolayer

(2017) César González et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The adsorption of CO and NO on the MoS 2 monolayer doped with Au, Pt, Pd, or Ni: A first-principles study

(2016) Dongwei Ma et al.   APPLIED SURFACE SCIENCE

Transition metal doped ZnO nanoclusters for carbon monoxide detection: DFT studies

(2016) Saeed Aslanzadeh   JOURNAL OF MOLECULAR MODELING

A first-principles study on gas sensing properties of graphene and Pd-doped graphene

(2015) Ling Ma et al.   APPLIED SURFACE SCIENCE

First principles studies of electronic and optical properties of helium adsorption on Sc-doped BN monolayer

(2015) Avat Arman Taherpour et al.   Journal of the Iranian Chemical Society

Silicene as a highly sensitive molecule sensor for NH3, NO and NO2

(2014) Wei Hu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets

(2013) Manish Chhowalla et al.   Nature Chemistry

Adsorption of nitrogen oxides on graphene and graphene oxides: Insights from density functional calculations

(2011) Shaobin Tang et al.   JOURNAL OF CHEMICAL PHYSICS

Kohn−Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage

(2010) Elias Rudberg et al.   Journal of Chemical Theory and Computation