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Ушбу ишга иқтибос қилган ишлар

64 та иш

Иш: Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

  1. 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

    Feng Liu, Shuanglin Hu, Xunlei Ding +6

    МақолаTiO2 Photocatalysis and Solar CellsJournal of Materials Chemistry A20160 иқтибос
    ABI

  2. 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

    МақолаElectrocatalysts for Energy ConversionJournal of Materials Chemistry A20160 иқтибос
    ABI

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

    Qing Peng, Wei Ji, Jie Lian +4

    МақолаHigh-pressure geophysics and materialsRSC Advances20160 иқтибос
    ABI

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

    Zhaoyong Guan, Shuang Ni, Shuanglin Hu

    МақолаGraphene research and applicationsRSC Advances20170 иқтибос
    ABI

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

    Qian Gao, Shuanglin Hu, Yi Du +1

    МақолаAdvanced Photocatalysis TechniquesJournal of Materials Chemistry A20170 иқтибос
    ABI

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

    Menglu Li, Ning Wang, Ming Jiang +5

    МақолаAdvanced Thermoelectric Materials and DevicesJournal of Materials Chemistry C20190 иқтибос
    ABI

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

    Xiankun Liu, Qijie Feng, Bin Tang +5

    МақолаBoron and Carbon Nanomaterials ResearchRSC Advances20190 иқтибос
    ABI

  8. 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

    Yiyu Fang, Xianggang Kong, You Yu +5

    МақолаSemiconductor materials and devicesRSC Advances20190 иқтибос
    ABI

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

    Azkar Saeed Ahmad, Yongcheng Liang, Mingdong Dong +11

    Мақола2D Materials and ApplicationsNanoscale20200 иқтибос
    ABI

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

    Haolin Li, Sheng Dai, Dinesh Bhalothia +3

    МақолаElectrocatalysts for Energy ConversionPhysical Chemistry Chemical Physics20200 иқтибос
    ABI

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

    Damir Mamedov, Komiljon Yakubov, R.B. Bazarbaev +3

    МақолаChalcogenide Semiconductor Thin FilmsMaterials Today Proceedings20200 иқтибос
    ABI

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

    Haolin Li, Sheng Dai, Dinesh Bhalothia +3

    МақолаElectrocatalysts for Energy ConversionJournal of Materials Chemistry A20210 иқтибос
    ABI

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

    Ying Liu, Huifang Du, Leiming Fang +5

    МақолаEnergetic Materials and CombustionRSC Advances20210 иқтибос
    ABI

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

    Peng Guo, Shoufu Cao, Yijin Wang +10

    МақолаElectrocatalysts for Energy ConversionApplied Catalysis B: Environmental20220 иқтибос
    ABI

  15. 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

    МақолаAdvanced battery technologies researchJournal of Colloid and Interface Science20240 иқтибос
    ABI

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

    Rong Luo, Bao-Jing Li, Zhanpeng Wang +7

    МақолаAmmonia Synthesis and Nitrogen ReductionJACS Au20240 иқтибос
    ABI

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

    Tommaso Forni, Matteo Baldoni, Fabio Le Piane +1

    МақолаMachine Learning in Materials ScienceScientific Reports20240 иқтибос
    ABI

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

    Muhammad Mateen, Muhammad Mushtaq, Abdelazim M. Mebed +6

    МақолаAdvanced Chemical Physics StudiesHeliyon20240 иқтибос
    ABI

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

    Shereen M. Al‐Shomar, A.M. Quraishi, Ghazanfar Nazir +10

    Мақола2D Materials and ApplicationsMaterials Chemistry and Physics20240 иқтибос
    ABI

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

    R. Zosiamliana, L. Celestine, Lalhriat Zuala +6

    МақолаFerroelectric and Piezoelectric MaterialsHigh Pressure Research20240 иқтибос
    ABI

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

    F. D’Acapito, M. A. Rehman

    МақолаChalcogenide Semiconductor Thin FilmsJournal of Synchrotron Radiation20240 иқтибос
    ABI

  22. How crystallization additives govern halide perovskite grain growth

    Timo Maschwitz, Lena Merten, Feray Ünlü +38

    МақолаPerovskite Materials and ApplicationsNature Communications20250 иқтибос
    ABI

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

    Yanmei Li, Qiaonan Zhu, Liwei Cheng +6

    МақолаAdvanced battery technologies researchEnergy storage materials20250 иқтибос
    ABI

  24. 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

    Мақола2D Materials and ApplicationsJournal of Energy Storage20250 иқтибос
    ABI

  25. 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

    МақолаMachine Learning in Materials ScienceACS Materials Letters20250 иқтибос
    ABI