Ushbu ishga iqtibos qilgan ishlar

60 ta ish

Ish: Special points for Brillouin-zone integrations

Exploring electron energy dependencies in the formation of surface charge on ZnO crystals
Utkirjon Sharopov, Kamoliddin Samiev, Akbarjon To'raev +14
MaqolaZnO doping and propertiesVacuum20248 iqtibos
ABI
Electronic, mechanical, optical and piezoelectric properties of glass-like sodium silicate (Na2SiO3) under compressive pressure
R. Zosiamliana, Lalrinkima Lalrinkima, B. Chettri +3
MaqolaGlass properties and applicationsRSC Advances20226 iqtibos
ABI
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
A Thorough Investigation of Electronic, Optical, Mechanical, and Thermodynamic Properties of Stable Glasslike Sodium Germanate under Compressive Hydrostatic Pressure: Ab Initio Study
Zosiamliana Renthlei, M. Prasad, Juluru Sivakumar +7
MaqolaGlass properties and applicationsACS Omega20233 iqtibos
ABI
Effect of chemical modification on electronic transport properties of carbyne
G. R. Berdiyorov, Umedjon Khalilov, Hicham Hamoudi +1
MaqolaMolecular Junctions and NanostructuresJournal of Computational Electronics20212 iqtibos
ABI
Beyond metals: theoretical discovery of semiconducting MAX phases and their potential application in thermoelectrics
Mohammad Khazaei, Iraj Maleki, Namitha Anna Koshi +11
MaqolaMXene and MAX Phase MaterialsPhysical Chemistry Chemical Physics20242 iqtibos
ABI
<scp>LAX</scp> phases: A family of novel stable layered materials, informatics‐based discovery
Ehsan Alibagheri, Mohammad Khazaei, Mehdi Estili +5
MaqolaMXene and MAX Phase MaterialsInfoMat20252 iqtibos
ABI
First-principles calculations on the electronic structure and thermoelectric properties of quaternary Heusler compounds: LiScPtSi and LiScPdGe
Jaspal Singh, Kulwinder Kaur, Muzzammil Ahmad Bhat +5
MaqolaHeusler alloys: electronic and magnetic propertiesMaterials Today Communications20221 iqtibos
ABI
A Halide‐Based Perovskite CsGeX3 (X = Cl, Br, and I) for Optoelectronic and Piezoelectric Applications
L. Celestine, R. Zosiamliana, Shivraj Gurung +4
MaqolaPerovskite Materials and ApplicationsAdvanced Theory and Simulations20231 iqtibos
ABI
Theoretical Investigation of Lead Perovskite PbXO3 (X = Ti, Zr, and Hf) for Potential Thermoelectric Applications: Hybrid-DFT Approach
Zosiamliana Renthlei, L. Celestine, Lalrin Kima +7
MaqolaPerovskite Materials and ApplicationsEnergy & Fuels20231 iqtibos
ABI
First-principles investigation of the electronics, optical, mechanical, thermodynamics and thermoelectric properties of Na based Quaternary Heusler alloys (QHAs) NaHfXGe (X = Co, Rh, Ir)
R. Zosiamliana, Lalrin Kima, Zodin Mawia +3
MaqolaHeusler alloys: electronic and magnetic propertiesJournal of Physics Condensed Matter20231 iqtibos
ABI
Atomic level mechanisms of graphene healing by methane-based plasma radicals
Umedjon Khalilov, Maksudbek Yusupov, G. Eshonqulov +2
MaqolaGraphene research and applicationsFlatChem20231 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 Comprehensive DFT Analysis of Novel Vacancy-Ordered Double Perovskites Na2SnX6 (X = Br, I) for the Opto-electronic and Thermoelectric Properties Applications
Anjali Kumari, Ali B.M. Ali, Jisha Annie Abraham +5
MaqolaPerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20251 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
Effect of oxygen vacancy and surface plasmon resonance: a photocatalytic activity study on Ag/Bi4Ti3O12 nanocomposites
Shiping Li, Xiaobing Bian, Jianzhi Gao +4
MaqolaAdvanced Photocatalysis TechniquesJournal of Materials Science Materials in Electronics20171 iqtibos
ABI
Probing the physical properties of novel lead-free double perovskites A2NaAsCl6 (A = K and Rb): a first-principles approach
Nazia Erum, Ramesh Sharma, Abhinav Kumar +3
MaqolaPerovskite Materials and ApplicationsNew Journal of Chemistry20251 iqtibos
ABI
Dissociation mechanism of H2 molecule on the Li2O/hydrogenated-Li2O (111) surface from first principles calculations
Xianggang Kong, You Yu, Shenggui Ma +3
MaqolaAmmonia Synthesis and Nitrogen ReductionRSC Advances20171 iqtibos
ABI
Embedded atom model for the liquid U–10Zr alloy based on density functional theory calculations
Ning Wang, Tao Jiang, Yanqiu Yang +4
MaqolaThermodynamic and Structural Properties of Metals and AlloysRSC Advances20150 iqtibos
ABI
CO2 adsorption on Fe-doped graphene nanoribbons: First principles electronic transport calculations
G. R. Berdiyorov, Hasan M. Abdullah, Mohammed Al Ezzi +3
MaqolaGraphene research and applicationsAIP Advances20160 iqtibos
ABI
Local heterojunctions of atomic Pt clusters boost the oxygen reduction activity of Rucore@Pdshell nanocrystallites
Jeng‐Han Wang, Kuan‐Wen Wang, Tian-Lin Chen +4
MaqolaElectrocatalysts for Energy ConversionJournal of Materials Chemistry A20160 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
Electronic transport calculations for CO2 adsorption on calcium-decorated graphene nanoribbons
F. Boltayev, G. Eshonqulov, G. R. Berdiyorov
MaqolaGraphene research and applicationsComputational Materials Science20180 iqtibos
ABI
Structure and Raman scattering of chained carbon films on copper substrate: ab initio approach
Е. А. Бунтов, A. F. Zatsepin, M.B. Guseva +2
MaqolaGraphene research and applicationsIOP Conference Series Materials Science and Engineering20180 iqtibos
ABI
First-principles study of the effect of dopants (Pd, Ni) on the formation and desorption of T2O from a Li2TiO3 (001) surface
Yiyu Fang, Xianggang Kong, You Yu +5
MaqolaSemiconductor materials and devicesRSC Advances20190 iqtibos
ABI

Ushbu ishga iqtibos qilgan ishlar

Exploring electron energy dependencies in the formation of surface charge on ZnO crystals

Electronic, mechanical, optical and piezoelectric properties of glass-like sodium silicate (Na<sub>2</sub>SiO<sub>3</sub>) under compressive pressure

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)

A Thorough Investigation of Electronic, Optical, Mechanical, and Thermodynamic Properties of Stable Glasslike Sodium Germanate under Compressive Hydrostatic Pressure: Ab Initio Study

Effect of chemical modification on electronic transport properties of carbyne

Beyond metals: theoretical discovery of semiconducting MAX phases and their potential application in thermoelectrics

<scp>LAX</scp> phases: A family of novel stable layered materials, informatics‐based discovery

First-principles calculations on the electronic structure and thermoelectric properties of quaternary Heusler compounds: LiScPtSi and LiScPdGe

A Halide‐Based Perovskite CsGeX<sub>3</sub> (X = Cl, Br, and I) for Optoelectronic and Piezoelectric Applications

Theoretical Investigation of Lead Perovskite PbXO<sub>3</sub> (X = Ti, Zr, and Hf) for Potential Thermoelectric Applications: Hybrid-DFT Approach

First-principles investigation of the electronics, optical, mechanical, thermodynamics and thermoelectric properties of Na based Quaternary Heusler alloys (QHAs) NaHfXGe (X = Co, Rh, Ir)

Atomic level mechanisms of graphene healing by methane-based plasma radicals

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

A Comprehensive DFT Analysis of Novel Vacancy-Ordered Double Perovskites Na2SnX6 (X = Br, I) for the Opto-electronic and Thermoelectric Properties Applications

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

Effect of oxygen vacancy and surface plasmon resonance: a photocatalytic activity study on Ag/Bi4Ti3O12 nanocomposites

Probing the physical properties of novel lead-free double perovskites A<sub>2</sub>NaAsCl<sub>6</sub> (A = K and Rb): a first-principles approach

Dissociation mechanism of H<sub>2</sub> molecule on the Li<sub>2</sub>O/hydrogenated-Li<sub>2</sub>O (111) surface from first principles calculations

Embedded atom model for the liquid U–10Zr alloy based on density functional theory calculations

CO2 adsorption on Fe-doped graphene nanoribbons: First principles electronic transport calculations

Local heterojunctions of atomic Pt clusters boost the oxygen reduction activity of Rucore@Pdshell nanocrystallites

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

Electronic transport calculations for CO2 adsorption on calcium-decorated graphene nanoribbons

Structure and Raman scattering of chained carbon films on copper substrate: ab initio approach

First-principles study of the effect of dopants (Pd, Ni) on the formation and desorption of T<sub>2</sub>O from a Li<sub>2</sub>TiO<sub>3</sub> (001) surface