Ushbu ishga iqtibos qilgan ishlar

64 ta ish

Ish: Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

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
MaqolaTiO2 Photocatalysis and Solar CellsJournal of Materials Chemistry A20160 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 of the avalanche pressure of alpha zirconium
Qing Peng, Wei Ji, Jie Lian +4
MaqolaHigh-pressure geophysics and materialsRSC Advances20160 iqtibos
ABI
Band gap opening of graphene by forming a graphene/PtSe2 van der Waals heterojunction
Zhaoyong Guan, Shuang Ni, Shuanglin Hu
MaqolaGraphene research and applicationsRSC Advances20170 iqtibos
ABI
The origin of the enhanced photocatalytic activity of carbon nitride nanotubes: a first-principles study
Qian Gao, Shuanglin Hu, Yi Du +1
MaqolaAdvanced Photocatalysis TechniquesJournal of Materials Chemistry A20170 iqtibos
ABI
Improved thermoelectric performance of bilayer Bi2O2Se by the band convergence approach
Menglu Li, Ning Wang, Ming Jiang +5
MaqolaAdvanced Thermoelectric Materials and DevicesJournal of Materials Chemistry C20190 iqtibos
ABI
First-principles calculations of mechanical and thermodynamic properties of tetragonal Be12Ti
Xiankun Liu, Qijie Feng, Bin Tang +5
MaqolaBoron and Carbon Nanomaterials ResearchRSC Advances20190 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
Pressure-driven switching of magnetism in layered CrCl3
Azkar Saeed Ahmad, Yongcheng Liang, Mingdong Dong +11
Maqola2D Materials and ApplicationsNanoscale20200 iqtibos
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
MaqolaElectrocatalysts for Energy ConversionPhysical Chemistry Chemical Physics20200 iqtibos
ABI
Methods of estimations of the band gap for kesterite Cu2ZnSnS(Se)4
Damir Mamedov, Komiljon Yakubov, R.B. Bazarbaev +3
MaqolaChalcogenide Semiconductor Thin FilmsMaterials Today Proceedings20200 iqtibos
ABI
Interfacial atomic Ni tetragon intercalation in a NiO2-to-Pd hetero-structure triggers superior HER activity to the Pt catalyst
Haolin Li, Sheng Dai, Dinesh Bhalothia +3
MaqolaElectrocatalysts for Energy ConversionJournal of Materials Chemistry A20210 iqtibos
ABI
Pressure-driven electronic phase transition in the high-pressure phase of nitrogen-rich 1H-tetrazoles
Ying Liu, Huifang Du, Leiming Fang +5
MaqolaEnergetic Materials and CombustionRSC Advances20210 iqtibos
ABI
Surface self-reconstruction of telluride induced by in-situ cathodic electrochemical activation for enhanced water oxidation performance
Peng Guo, Shoufu Cao, Yijin Wang +10
MaqolaElectrocatalysts for Energy ConversionApplied Catalysis B: Environmental20220 iqtibos
ABI
Dual-functional ionic liquids additive enables dendrite-free Zn anode with ultra-long cycle life over one year
Yuexian Song, Jiao Wang, Xiaobin Zhong +12
MaqolaAdvanced battery technologies researchJournal of Colloid and Interface Science20240 iqtibos
ABI
Two-Dimensional MOF Constructed by a Binuclear-Copper Motif for High-Performance Electrocatalytic NO Reduction to NH3
Rong Luo, Bao-Jing Li, Zhanpeng Wang +7
MaqolaAmmonia Synthesis and Nitrogen ReductionJACS Au20240 iqtibos
ABI
GrapheNet: a deep learning framework for predicting the physical and electronic properties of nanographenes using images
Tommaso Forni, Matteo Baldoni, Fabio Le Piane +1
MaqolaMachine Learning in Materials ScienceScientific Reports20240 iqtibos
ABI
Electronic and adsorption properties of halogen molecule X2 (X=F, Cl) adsorbed arsenene: First-principles study
Muhammad Mateen, Muhammad Mushtaq, Abdelazim M. Mebed +6
MaqolaAdvanced Chemical Physics StudiesHeliyon20240 iqtibos
ABI
Unveiling elevated curie temperature and exceptional perpendicular magnetic anisotropy in chlorinated monolayer CrI3
Shereen M. Al‐Shomar, A.M. Quraishi, Ghazanfar Nazir +10
Maqola2D Materials and ApplicationsMaterials Chemistry and Physics20240 iqtibos
ABI
Pressure-sensitive germanate glass-Li 2 GeO 3 , a multifunctional energy material: a theoretical study
R. Zosiamliana, L. Celestine, Lalhriat Zuala +6
MaqolaFerroelectric and Piezoelectric MaterialsHigh Pressure Research20240 iqtibos
ABI
Effectiveness of ab initio molecular dynamics in simulating EXAFS spectra from layered systems
F. D’Acapito, M. A. Rehman
MaqolaChalcogenide Semiconductor Thin FilmsJournal of Synchrotron Radiation20240 iqtibos
ABI
How crystallization additives govern halide perovskite grain growth
Timo Maschwitz, Lena Merten, Feray Ünlü +38
MaqolaPerovskite Materials and ApplicationsNature Communications20250 iqtibos
ABI
A high-energy-density aqueous dual-ion anode-free Zn battery under cryogenic conditions
Yanmei Li, Qiaonan Zhu, Liwei Cheng +6
MaqolaAdvanced battery technologies researchEnergy storage materials20250 iqtibos
ABI
Selenium-based hetero-circulene monolayer: Coexistence of gapped Dirac fermions, heavy fermions and semiconductivity in a single quantum platform with lithium-ion battery applications
Naga Venkateswara Rao Nulakani, Yarjan Abdul Samad, Ameen Shahid +2
Maqola2D Materials and ApplicationsJournal of Energy Storage20250 iqtibos
ABI
Synthesizable Two-Dimensional Haeckelites with Auxetic Behavior and Multifunctional Properties: A Computational Study Integrating Machine Learning Interatomic Potentials
Ehsan Alibagheri, Mohammad Khazaei, Bassam Rabihavi +3
MaqolaMachine Learning in Materials ScienceACS Materials Letters20250 iqtibos
ABI

Ushbu ishga iqtibos qilgan ishlar

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

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

Band gap opening of graphene by forming a graphene/PtSe<sub>2</sub> van der Waals heterojunction

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

Methods of estimations of the band gap for kesterite Cu2ZnSnS(Se)4

Interfacial atomic Ni tetragon intercalation in a NiO<sub>2</sub>-to-Pd hetero-structure triggers superior HER activity to the Pt catalyst

Pressure-driven electronic phase transition in the high-pressure phase of nitrogen-rich 1H-tetrazoles

Surface self-reconstruction of telluride induced by in-situ cathodic electrochemical activation for enhanced water oxidation performance

Dual-functional ionic liquids additive enables dendrite-free Zn anode with ultra-long cycle life over one year

Two-Dimensional MOF Constructed by a Binuclear-Copper Motif for High-Performance Electrocatalytic NO Reduction to NH<sub>3</sub>

GrapheNet: a deep learning framework for predicting the physical and electronic properties of nanographenes using images

Electronic and adsorption properties of halogen molecule X2 (X=F, Cl) adsorbed arsenene: First-principles study

Unveiling elevated curie temperature and exceptional perpendicular magnetic anisotropy in chlorinated monolayer CrI3

Pressure-sensitive germanate glass-Li <sub>2</sub> GeO <sub>3</sub> , a multifunctional energy material: a theoretical study

Effectiveness of <i>ab initio</i> molecular dynamics in simulating EXAFS spectra from layered systems

How crystallization additives govern halide perovskite grain growth

A high-energy-density aqueous dual-ion anode-free Zn battery under cryogenic conditions

Selenium-based hetero-circulene monolayer: Coexistence of gapped Dirac fermions, heavy fermions and semiconductivity in a single quantum platform with lithium-ion battery applications

Synthesizable Two-Dimensional Haeckelites with Auxetic Behavior and Multifunctional Properties: A Computational Study Integrating Machine Learning Interatomic Potentials