Ushbu ishga iqtibos qilgan ishlar

14 ta ish

Ish: Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]

Electronic, mechanical and piezoelectric properties of glass-like complex Na2Si1−xGexO3 (x = 0.0, 0.25, 0.50, 0.75, 1.0)
R. Zosiamliana, B. Chettri, Guilherme S. L. Fabris +4
MaqolaFerroelectric and Piezoelectric MaterialsRSC Advances20224 iqtibos
ABI
Enhancing the H2S and SO2 sensing capabilities of WS2 nanosheets by transition metal (Mo, Nb, Zr) adsorption: A DFT study
Fadhil Faez, Farag M. A. Altalbawy, Prakash Kanjariya +6
MaqolaGas Sensing Nanomaterials and SensorsComputational and Theoretical Chemistry20251 iqtibos
ABI
A comparative DFT study of the delivery performance of Au cluster decorated MoSe2 and WSe2 nanosheets for hydroxyurea and nitrosourea anticancer drugs
Farag M.A. Altalbawy, Munthar Kadhim Abosaoda, Suranjana V. Mayani‎ +7
Maqola2D Materials and ApplicationsMaterials Chemistry and Physics20251 iqtibos
ABI
A first-principles study of the avalanche pressure of alpha zirconium
Qing Peng, Wei Ji, Jie Lian +4
MaqolaHigh-pressure geophysics and materialsRSC Advances20160 iqtibos
ABI
First-principles investigation of the equation of state and elastic properties of perovskite-type SrW(O,N)3 under hydrostatic pressures up to 139 GPa
Ehsan Zahedi, Mirabbos Hojamberdiev
MaqolaHigh-pressure geophysics and materialsThe European Physical Journal B20170 iqtibos
ABI
A first–principles study on polar hexagonal Cs 2 Te M 3 O 12 ( M = W, Mo): New visible–light responsive photocatalyst
Ehsan Zahedi, Mirabbos Hojamberdiev
MaqolaAdvanced Photocatalysis TechniquesJournal of Solid State Chemistry20170 iqtibos
ABI
Polytelluride square planar chain-induced anharmonicity results in ultralow thermal conductivity and high thermoelectric efficiency in Al2Te5 monolayers
Iraj Maleki, S. Mehdi Vaez Allaei, S. Shahab Naghavi
MaqolaAdvanced Thermoelectric Materials and DevicesPhysical Chemistry Chemical Physics20240 iqtibos
ABI
Pd and Pt transition metal decorated WS2 nanosheets as efficient gas sensors for SOx molecules: A comparative DFT study
Farag M. A. Altalbawy, Fadhil Faez Sead, Suranjana V. Mayani‎ +7
Maqola2D Materials and ApplicationsMaterials Chemistry and Physics20250 iqtibos
ABI
Enhanced sensing performance of Aun cluster modified BSe nanosheets (Aun-BSe) for trapping non-cyclic and cyclic N containing molecules: A comparative DFT study
Nisar Ahmad Koka, Farag M. A. Altalbawy, Mandeep Kaur +8
Maqola2D Materials and ApplicationsInorganic Chemistry Communications20250 iqtibos
ABI
Tailoring the Adsorption and Sensing Properties of S Containing Molecules on the Novel Ag Cluster Decorated BSe Nanosheets: A Comparative DFT Study
M.A. Farag, Altalbawy, Pawan Sharma +10
Maqola2D Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20250 iqtibos
ABI
Tailoring the adsorption properties of iridium and osmium cluster functionalized WSe2 nanosheets towards NO2, SO2 and SO2F2 molecules: A DFT study
Fadhil Faez, Shoira Formanova, Pinank Patel +7
Maqola2D Materials and ApplicationsComputational and Theoretical Chemistry20250 iqtibos
ABI
Theoretical study of the Ptn (n = 1–4) nanoparticle functionalized BC3 nanosheets and their effects on the adsorption and sensing of SOx, CO2 and NO2 molecules
Qamar Abuhassan, Ahmed Aldulaimi, Omayma Salim Waleed +8
MaqolaBoron and Carbon Nanomaterials ResearchJournal of Nanoparticle Research20250 iqtibos
ABI
Adsorption of N containing gas molecules on the noble metal (Ir, Os and Pt) modified silicene nanosheets: a theoretical study using DFT and electron density simulations
Qamar Abuhassan, Ahmed Aldulaimi, Omayma Salim Waleed +8
MaqolaGraphene research and applicationsApplied Physics A20260 iqtibos
ABI
DFT-D3 investigation of the adsorption of methane and haloalkanes (CH2Cl2, CHCl3) on the Osmium and Ruthenium cluster doped BSe nanosheets: Implications for promising sensors
Qamar Abuhassan, Ghada Al-Assi, Ahmed Aldulaimi +8
Maqola2D Materials and ApplicationsApplied Physics A20260 iqtibos
ABI

Ushbu ishga iqtibos qilgan ishlar

Electronic, mechanical and piezoelectric properties of glass-like complex Na<sub>2</sub>Si<sub>1−<i>x</i></sub>Ge<sub><i>x</i></sub>O<sub>3</sub> (<i>x</i> = 0.0, 0.25, 0.50, 0.75, 1.0)

Enhancing the H2S and SO2 sensing capabilities of WS2 nanosheets by transition metal (Mo, Nb, Zr) adsorption: A DFT study

A comparative DFT study of the delivery performance of Au cluster decorated MoSe2 and WSe2 nanosheets for hydroxyurea and nitrosourea anticancer drugs

A first-principles study of the avalanche pressure of alpha zirconium

First-principles investigation of the equation of state and elastic properties of perovskite-type SrW(O,N)3 under hydrostatic pressures up to 139 GPa

A first–principles study on polar hexagonal Cs 2 Te M 3 O 12 ( M = W, Mo): New visible–light responsive photocatalyst

Polytelluride square planar chain-induced anharmonicity results in ultralow thermal conductivity and high thermoelectric efficiency in Al<sub>2</sub>Te<sub>5</sub> monolayers

Pd and Pt transition metal decorated WS2 nanosheets as efficient gas sensors for SOx molecules: A comparative DFT study

Enhanced sensing performance of Aun cluster modified BSe nanosheets (Aun-BSe) for trapping non-cyclic and cyclic N containing molecules: A comparative DFT study

Tailoring the Adsorption and Sensing Properties of S Containing Molecules on the Novel Ag Cluster Decorated BSe Nanosheets: A Comparative DFT Study

Tailoring the adsorption properties of iridium and osmium cluster functionalized WSe2 nanosheets towards NO2, SO2 and SO2F2 molecules: A DFT study

Theoretical study of the Ptn (n = 1–4) nanoparticle functionalized BC3 nanosheets and their effects on the adsorption and sensing of SOx, CO2 and NO2 molecules

Adsorption of N containing gas molecules on the noble metal (Ir, Os and Pt) modified silicene nanosheets: a theoretical study using DFT and electron density simulations

DFT-D3 investigation of the adsorption of methane and haloalkanes (CH2Cl2, CHCl3) on the Osmium and Ruthenium cluster doped BSe nanosheets: Implications for promising sensors