Работы, цитирующие эту работу

Работ: 42

Работа: Projector augmented-wave method

Probing the physical properties of Sr3AsX3 (X = F and Br) perovskite compounds for prospective solar cell applications employing the DFT framework
Ali Algahtani, Amina, Fida Rehman +8
СтатьяPerovskite Materials and ApplicationsInorganic Chemistry Communications2024Цитирований: 6
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
СтатьяGlass properties and applicationsACS Omega2023Цитирований: 3
ABI
Beyond metals: theoretical discovery of semiconducting MAX phases and their potential application in thermoelectrics
Mohammad Khazaei, Iraj Maleki, Namitha Anna Koshi +11
СтатьяMXene and MAX Phase MaterialsPhysical Chemistry Chemical Physics2024Цитирований: 2
ABI
Layered Na5V12O32 nanowires with enhanced properties of removing Pb2+ in aqueous solution by chemical reaction
Dong Fang, Xueliu Xu, Rui Bao +5
СтатьяAdvanced Photocatalysis TechniquesJournal of environmental chemical engineering2020Цитирований: 2
ABI
Electronic structure, structural and optical properties of thermally evaporated CdTe thin films
S. Lalitha, Smagul Karazhanov, P. Ravindran +3
СтатьяChalcogenide Semiconductor Thin FilmsPhysica B Condensed Matter2006Цитирований: 1
ABI
Ethanol and Water Adsorption on Close-Packed 3d, 4d, and 5d Transition-Metal Surfaces: A Density Functional Theory Investigation with van der Waals Correction
Polina Tereshchuk, Juarez L. F. Da Silva
СтатьяAdvanced Chemical Physics StudiesThe Journal of Physical Chemistry C2012Цитирований: 1
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
СтатьяPerovskite Materials and ApplicationsEnergy & Fuels2023Цитирований: 1
ABI
High thermoelectric and opto-electronic properties of Ba3NX3 (X=F, Cl) perovskite: Insights from DFT computation
Amnah Mohammed Alsuhaibani, Amina, Fida Rehman +10
СтатьяPerovskite Materials and ApplicationsRadiation Physics and Chemistry2024Цитирований: 1
ABI
Suppressed Defects and Improved Stability of All‐Inorganic CsSnI 3 Films by Solid Additive‐Assisted Chemical Vapor Deposition Process
Hongyu Li, Chao Ye, Yichen Jin +10
СтатьяPerovskite Materials and ApplicationsSmall2025Цитирований: 1
ABI
Ab Initio Study Of Double Oxides ZnX 2 O 4 (X=Al, Ga, In) Having Spinel Structure
Smagul Karazhanov, P. Ravindran
СтатьяZnO doping and propertiesJournal of the American Ceramic Society2010Цитирований: 1
ABI
Effect of oxygen vacancy and surface plasmon resonance: a photocatalytic activity study on Ag/Bi4Ti3O12 nanocomposites
Shiping Li, Xiaobing Bian, Jianzhi Gao +4
СтатьяAdvanced Photocatalysis TechniquesJournal of Materials Science Materials in Electronics2017Цитирований: 1
ABI
Dissociation mechanism of H2 molecule on the Li2O/hydrogenated-Li2O (111) surface from first principles calculations
Xianggang Kong, You Yu, Shenggui Ma +3
СтатьяAmmonia Synthesis and Nitrogen ReductionRSC Advances2017Цитирований: 1
ABI
Density Functional Investigation of the Adsorption of Ethanol–Water Mixture on the Pt(111) Surface
Polina Tereshchuk, Juarez L. F. Da Silva
СтатьяAdvanced Chemical Physics StudiesThe Journal of Physical Chemistry C2013Цитирований: 0
ABI
First principles study of electronic structure, structural and optical properties of Mg3Si2O5(OH)4
G.A. Adebayo, Zh. Zhanabergenov, U. Ernazarov +2
СтатьяGlass properties and applicationsApplied Clay Science2014Цитирований: 0
ABI
Dynamics and stability of icosahedral Fe–Pt nanoparticles
Paweł T. Jochym, Jan Łażewski, M. Sternik +1
Статьяnanoparticles nucleation surface interactionsPhysical Chemistry Chemical Physics2015Цитирований: 0
ABI
Embedded atom model for the liquid U–10Zr alloy based on density functional theory calculations
Ning Wang, Tao Jiang, Yanqiu Yang +4
СтатьяThermodynamic and Structural Properties of Metals and AlloysRSC Advances2015Цитирований: 0
ABI
First-principles study of line-defect-embedded zigzag graphene nanoribbons: electronic and magnetic properties
Zhaoyong Guan, Si Chen, Shuanglin Hu +1
СтатьяGraphene research and applicationsPhysical Chemistry Chemical Physics2016Цитирований: 0
ABI
Ligand-free nano-grain Cu2SnS3 as a potential cathode alternative for both cobalt and iodine redox electrolyte dye-sensitized solar cells
Feng Liu, Shuanglin Hu, Xunlei Ding +6
СтатьяTiO2 Photocatalysis and Solar CellsJournal of Materials Chemistry A2016Цитирований: 0
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
СтатьяElectrocatalysts for Energy ConversionJournal of Materials Chemistry A2016Цитирований: 0
ABI
The origin of the enhanced photocatalytic activity of carbon nitride nanotubes: a first-principles study
Qian Gao, Shuanglin Hu, Yi Du +1
СтатьяAdvanced Photocatalysis TechniquesJournal of Materials Chemistry A2017Цитирований: 0
ABI
Improved thermoelectric performance of bilayer Bi2O2Se by the band convergence approach
Menglu Li, Ning Wang, Ming Jiang +5
СтатьяAdvanced Thermoelectric Materials and DevicesJournal of Materials Chemistry C2019Цитирований: 0
ABI
First-principles calculations of mechanical and thermodynamic properties of tetragonal Be12Ti
Xiankun Liu, Qijie Feng, Bin Tang +5
СтатьяBoron and Carbon Nanomaterials ResearchRSC Advances2019Цитирований: 0
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
СтатьяSemiconductor materials and devicesRSC Advances2019Цитирований: 0
ABI
Pressure-driven switching of magnetism in layered CrCl3
Azkar Saeed Ahmad, Yongcheng Liang, Mingdong Dong +11
Статья2D Materials and ApplicationsNanoscale2020Цитирований: 0
ABI
Collaboration between a Pt-dimer and neighboring Co–Pd atoms triggers efficient pathways for oxygen reduction reaction
Haolin Li, Sheng Dai, Dinesh Bhalothia +3
СтатьяElectrocatalysts for Energy ConversionPhysical Chemistry Chemical Physics2020Цитирований: 0
ABI

Работы, цитирующие эту работу

Probing the physical properties of Sr3AsX3 (X = F and Br) perovskite compounds for prospective solar cell applications employing the DFT framework

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

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

Layered Na5V12O32 nanowires with enhanced properties of removing Pb2+ in aqueous solution by chemical reaction

Electronic structure, structural and optical properties of thermally evaporated CdTe thin films

Ethanol and Water Adsorption on Close-Packed 3d, 4d, and 5d Transition-Metal Surfaces: A Density Functional Theory Investigation with van der Waals Correction

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

High thermoelectric and opto-electronic properties of Ba3NX3 (X=F, Cl) perovskite: Insights from DFT computation

Suppressed Defects and Improved Stability of All‐Inorganic CsSnI <sub>3</sub> Films by Solid Additive‐Assisted Chemical Vapor Deposition Process

Ab Initio Study Of Double Oxides ZnX <sub>2</sub> O <sub>4</sub> (X=Al, Ga, In) Having Spinel Structure

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

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

Density Functional Investigation of the Adsorption of Ethanol–Water Mixture on the Pt(111) Surface

First principles study of electronic structure, structural and optical properties of Mg3Si2O5(OH)4

Dynamics and stability of icosahedral Fe–Pt nanoparticles

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

First-principles study of line-defect-embedded zigzag graphene nanoribbons: electronic and magnetic properties

Ligand-free nano-grain Cu<sub>2</sub>SnS<sub>3</sub> as a potential cathode alternative for both cobalt and iodine redox electrolyte dye-sensitized solar cells

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

The origin of the enhanced photocatalytic activity of carbon nitride nanotubes: a first-principles study

Improved thermoelectric performance of bilayer Bi<sub>2</sub>O<sub>2</sub>Se by the band convergence approach

First-principles calculations of mechanical and thermodynamic properties of tetragonal Be<sub>12</sub>Ti

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

Pressure-driven switching of magnetism in layered CrCl<sub>3</sub>

Collaboration between a Pt-dimer and neighboring Co–Pd atoms triggers efficient pathways for oxygen reduction reaction