Ушбу ишга иқтибос қилган ишлар

153 та иш

Иш: Generalized Gradient Approximation Made Simple

Epoxy coating as effective anti-corrosive polymeric material for aluminum alloys: Formulation, electrochemical and computational approaches
Omar Dagdag, Авни Бериша, Valbonë Mehmeti +7
МақолаCorrosion Behavior and InhibitionJournal of Molecular Liquids202116 иқтибос
ABI
Impact of halogens modifications on physical characteristics of lead-free hybrid double perovskites compounds Cs2YCuX6 (X=Cl, Br, and I) for energy storage applications: First principles investigations
Abrar Nazir, Ejaz Ahmad Khera, Khaled Althubeiti +4
МақолаPerovskite Materials and ApplicationsChemical Physics202411 иқтибос
ABI
DFT insights for thermoelectric characteristics of Sr3AsI3 for energy harvesting applications by TB-mBJ studies
Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +6
МақолаAdvanced Thermoelectric Materials and DevicesInorganic Chemistry Communications20248 иқтибос
ABI
Exploring electron energy dependencies in the formation of surface charge on ZnO crystals
Utkirjon Sharopov, Kamoliddin Samiev, Akbarjon To'raev +14
МақолаZnO doping and propertiesVacuum20248 иқтибос
ABI
Electronic, mechanical, optical and piezoelectric properties of glass-like sodium silicate (Na2SiO3) under compressive pressure
R. Zosiamliana, Lalrinkima Lalrinkima, B. Chettri +3
МақолаGlass properties and applicationsRSC Advances20226 иқтибос
ABI
Thermoelectric investigation of transition metal oxide <scp> NiO 2 </scp> : A first principles study
Aadil Fayaz Wani, Bindu Rani, U. B. Sharopov +2
МақолаAdvanced Thermoelectric Materials and DevicesInternational Journal of Energy Research20225 иқтибос
ABI
A striking catalytic effect of facile synthesized ZrMn2 nanoparticles on the de/rehydrogenation properties of MgH2
Liuting Zhang, Zeliang Cai, Zhendong Yao +8
МақолаHydrogen Storage and MaterialsJournal of Materials Chemistry A20194 иқтибос
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
МақолаFerroelectric and Piezoelectric MaterialsRSC Advances20224 иқтибос
ABI
<scp>SiH monolayer</scp> : A promising <scp>two‐dimensional</scp> thermoelectric material
Aadil Fayaz Wani, Bindu Rani, Shobhna Dhiman +2
МақолаAdvanced Thermoelectric Materials and DevicesInternational Journal of Energy Research20223 иқтибос
ABI
Study of structural, electronic, mechanical, optical and thermoelectric properties of As based halide-perovskites Ba3AsX3 (X= F, Cl): A first-principles insights
Shereen M. Al‐Shomar, Maryam Liaqat, Iqra Anmol +12
МақолаHeusler alloys: electronic and magnetic propertiesJournal of Materials Research and Technology20243 иқтибос
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
МақолаGlass properties and applicationsACS Omega20233 иқтибос
ABI
An aminopyrimidine-functionalized cage-based metal–organic framework exhibiting highly selective adsorption of C2H2 and CO2 over CH4
Jingjing Jiao, Li Dou, Huimin Liu +6
МақолаMetal-Organic Frameworks: Synthesis and ApplicationsDalton Transactions20162 иқтибос
ABI
Pt3clusters-decorated Co@Pd and Ni@Pd model core–shell catalyst design for the oxygen reduction reaction: a DFT study
Yu Zhuang, Jyh‐Pin Chou, Pang-Yu Liu +4
МақолаElectrocatalysts for Energy ConversionJournal of Materials Chemistry A20182 иқтибос
ABI
Effect of chemical modification on electronic transport properties of carbyne
G. R. Berdiyorov, Umedjon Khalilov, Hicham Hamoudi +1
МақолаMolecular Junctions and NanostructuresJournal of Computational Electronics20212 иқтибос
ABI
Molecular levels unveil the membrane fouling mitigation mechanism of a superpotent N-rGO catalytic ozonation membrane: Interfacial catalytic reaction pathway and induced EfOM transformation reactions
Zilong Song, Zhenbei Wang, Jun Ma +12
МақолаMembrane Separation TechnologiesApplied Catalysis B: Environmental20222 иқтибос
ABI
Beyond metals: theoretical discovery of semiconducting MAX phases and their potential application in thermoelectrics
Mohammad Khazaei, Iraj Maleki, Namitha Anna Koshi +11
МақолаMXene and MAX Phase MaterialsPhysical Chemistry Chemical Physics20242 иқтибос
ABI
DFT-Based Investigation of Opto-Electronic, Mechanical, and Thermoelectric Properties of Sr2YBiO6 for Green Energy Applications
Aparna Dixit, Arti Saxena, Mumtaz Manzoor +6
МақолаAdvanced Thermoelectric Materials and DevicesJournal of Inorganic and Organometallic Polymers and Materials20252 иқтибос
ABI
<scp>LAX</scp> phases: A family of novel stable layered materials, informatics‐based discovery
Ehsan Alibagheri, Mohammad Khazaei, Mehdi Estili +5
МақолаMXene and MAX Phase MaterialsInfoMat20252 иқтибос
ABI
DFT study the application of carbon nitride monolayer with graphenylene networks for sensing of carmustine drug
Ali B.M. Ali, Ammar Yasir Ahmed, G. Padma Priya +8
МақолаGraphene research and applicationsJournal of Molecular Graphics and Modelling20252 иқтибос
ABI
Mechanism of oxygen generation via the oxygen evolution reaction in transition metal chalcogenides: A theoretical study
Chou‐Yi Hsu, Ali B.M. Ali, Ammar Yasir Ahmed +8
МақолаElectrocatalysts for Energy ConversionJournal of environmental chemical engineering20252 иқтибос
ABI
Synergistic effect by supported activated carbon between functional groups and metal oxygen vacancies: enhancing ibuprofen degradation by improving ozone mass transfer
Junda Lai, Zizheng Huangfu, Jiewen Xiao +11
МақолаCatalytic Processes in Materials ScienceEnvironmental Science Water Research & Technology20242 иқтибос
ABI
Layered Na5V12O32 nanowires with enhanced properties of removing Pb2+ in aqueous solution by chemical reaction
Dong Fang, Xueliu Xu, Rui Bao +5
МақолаAdvanced Photocatalysis TechniquesJournal of environmental chemical engineering20202 иқтибос
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
МақолаAdvanced Chemical Physics StudiesThe Journal of Physical Chemistry C20121 иқтибос
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
МақолаHeusler alloys: electronic and magnetic propertiesMaterials Today Communications20221 иқтибос
ABI
Exploring the effect of partial B-site Al3+–Mg2+ dual substitution on optoelectronic, surface, and photocatalytic properties of BaTaO2N
Mirabbos Hojamberdiev, Ronald Vargas, Zukhra C. Kadirova +2
МақолаElectronic and Structural Properties of OxidesMaterials Advances20221 иқтибос
ABI

Ушбу ишга иқтибос қилган ишлар

Epoxy coating as effective anti-corrosive polymeric material for aluminum alloys: Formulation, electrochemical and computational approaches

Impact of halogens modifications on physical characteristics of lead-free hybrid double perovskites compounds Cs2YCuX6 (X=Cl, Br, and I) for energy storage applications: First principles investigations

DFT insights for thermoelectric characteristics of Sr3AsI3 for energy harvesting applications by TB-mBJ studies

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

Thermoelectric investigation of transition metal oxide <scp> NiO <sub>2</sub> </scp> : A first principles study

A striking catalytic effect of facile synthesized ZrMn<sub>2</sub> nanoparticles on the de/rehydrogenation properties of MgH<sub>2</sub>

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)

<scp>SiH monolayer</scp> : A promising <scp>two‐dimensional</scp> thermoelectric material

Study of structural, electronic, mechanical, optical and thermoelectric properties of As based halide-perovskites Ba3AsX3 (X= F, Cl): A first-principles insights

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

An aminopyrimidine-functionalized cage-based metal–organic framework exhibiting highly selective adsorption of C<sub>2</sub>H<sub>2</sub> and CO<sub>2</sub> over CH<sub>4</sub>

Pt<sub>3</sub>clusters-decorated Co@Pd and Ni@Pd model core–shell catalyst design for the oxygen reduction reaction: a DFT study

Effect of chemical modification on electronic transport properties of carbyne

Molecular levels unveil the membrane fouling mitigation mechanism of a superpotent N-rGO catalytic ozonation membrane: Interfacial catalytic reaction pathway and induced EfOM transformation reactions

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

DFT-Based Investigation of Opto-Electronic, Mechanical, and Thermoelectric Properties of Sr2YBiO6 for Green Energy Applications

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

DFT study the application of carbon nitride monolayer with graphenylene networks for sensing of carmustine drug

Mechanism of oxygen generation via the oxygen evolution reaction in transition metal chalcogenides: A theoretical study

Synergistic effect by supported activated carbon between functional groups and metal oxygen vacancies: enhancing ibuprofen degradation by improving ozone mass transfer

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

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

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

Exploring the effect of partial B-site Al<sup>3+</sup>–Mg<sup>2+</sup> dual substitution on optoelectronic, surface, and photocatalytic properties of BaTaO<sub>2</sub>N