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81 ta ish

Ish: Transition metal-functionalized hexagonal bipyramidal boron clusters as high-performance electrocatalysts for hydrogen evolution reaction: A DFT study

  1. Effect of the damping function in dispersion corrected density functional theory

    Stefan Grimme, Stephan Ehrlich, Lars Goerigk

    Maqola201125 iqtibos
    ABI

  2. Toward reliable density functional methods without adjustable parameters: The PBE0 model

    Carlo Adamo, Vincenzo Barone

    Maqola199915 iqtibos
    ABI

  3. H2 production from coal by enriching sugar fermentation and alkane oxidation with hyperthermophilic resistance microbes in municipal wastewater

    Huaiwen Zhang, Yaojing Qiu, Tairan Liu +7

    Maqola202414 iqtibos
    ABI

  4. Effects of hydrogen addition on ignition characteristics and engine performance of ammonia-hydrogen blended fuel: A kinetic analysis

    Zhiqing Yu, Jianhui Zhao, В. А. Марков +1

    Maqola202413 iqtibos
    ABI

  5. Nitrogen-doped carbon trapped MnMoO4 microrods toward high performance aqueous zinc-ion battery

    Lin Gao, Yanan Ma, Chuankun Zhang +1

    Maqola20235 iqtibos
    ABI

  6. Meta-transfer learning-based method for multi-fault analysis and assessment in power system

    Lingfeng Zheng, Yuhong Zhu, Yongzhi Zhou

    Maqola20244 iqtibos
    ABI

  7. Enhancing prediction of electron affinity and ionization energy in liquid organic electrolytes for lithium-ion batteries using machine learning

    Yuxin Zhan, Xiaojie Ren, Shuai Zhao +1

    Maqola20244 iqtibos
    ABI

  8. Mn incorporated BiOCl anode for high performance sodium ion batteries

    Jie Xia, Lin Gao, Minglei Cao +5

    Maqola20254 iqtibos
    ABI

  9. Numerical study of proton exchange membrane fuel cells with airfoil cross flow field

    Tiancai Cheng, Qiang Liu, Guang‐Jun Jiang +3

    Maqola20254 iqtibos
    ABI

  10. Gallium regulated MnO2 toward high performance Zn ion batteries

    Lin Gao, Hao Hu, Chuankun Zhang +1

    Maqola20234 iqtibos
    ABI

  11. Cost‐Effective High Entropy Core–Shell Fiber for Stable Oxygen Evolution Reaction at 2 A cm<sup>−2</sup>

    Yi‐Fan Cui, Si‐Da Jiang, Qiang Fu +9

    Maqola20233 iqtibos
    ABI

  12. Theoretical investigation of HER/OER/ORR catalytic activity of single atom-decorated graphyne by DFT and comparative DOS analyses

    Mingming Guo, Mingjuan Ji, Wei Cui

    Maqola20223 iqtibos
    ABI

  13. Tailoring Si12C12 nanocluster with late first-row transition metals: A promising approach during single-atom catalysis toward hydrogen evolution reaction (HER)

    Naveen Kosar, Saira Rafiq, Khurshid Ayub +2

    Maqola20243 iqtibos
    ABI

  14. Understanding the atomistic origin of the magnetic phases in Cobalt-TM (V, Nb, Ta, Zr, Hf, W) pair co-doped boron nitride monolayer and the hydrogenation effect

    Debashis Roy, Md. Kamal Hossain, Syed Mahedi Hasan +3

    Maqola20203 iqtibos
    ABI

  15. Density Functional Theory for Electrocatalysis

    Xiaobin Liao, Ruihu Lu, Lixue Xia +5

    Maqola20213 iqtibos
    ABI

  16. Transition metal loaded carbon penta-belt SACs for hydrogen and oxygen evolution reactions and identification of systematic DFT method to characterize the main interacting orbital for non-periodic system

    Abdulrahman Allangawi, Khurshid Ayub, Mazhar Amjad Gilani +2

    Maqola20232 iqtibos
    ABI

  17. Single Atoms and Clusters Based Nanomaterials for Hydrogen Evolution, Oxygen Evolution Reactions, and Full Water Splitting

    Siraj Sultan, Jitendra N. Tiwari, Aditya Narayan Singh +5

    Maqola20192 iqtibos
    ABI

  18. High performance SACs for HER process using late first-row transition metals anchored on graphyne support: A DFT insight

    Faizan Ullah, Khurshid Ayub, Tariq Mahmood

    Maqola20212 iqtibos
    ABI

  19. First row transition metal doped B12P12 and Al12P12 nanocages as excellent single atom catalysts for the hydrogen evolution reaction

    Abdulrahman Allangawi, Mazhar Amjad Gilani, Khurshid Ayub +1

    Maqola20232 iqtibos
    ABI

  20. CdN4C0-gra as efficient trifunctional electrocatalyst for the HER, OER and ORR: A density functional theory study

    Luya Jin, Chao Liu, Daomiao Wang +4

    Maqola20222 iqtibos
    ABI

  21. Pristine fullerene (C24) metals (Mo, Fe, Au) engineered nanostructured materials as an efficient electro-catalyst for hydrogen evolution reaction (HER): A density functional theory (DFT) study

    Ernest C. Agwamba, Hitler Louis, Bartholomew B. Isang +3

    Maqola20232 iqtibos
    ABI

  22. Electrocatalytic performance of transition metal mono-carbides (TM: CrC, FeC, MnC, TiC, VC) decorated on palladium-encapsulated fullerenes (TM-Pd@C60) for hydrogen evolution reaction (HER): A DFT perspective

    Emmanuel Emmanuel, Ali Basem, Muna S. Merza +4

    Maqola20242 iqtibos
    ABI

  23. Probing the catalytic activity of first-row transition metal doped C20 fullerene as remarkable HER electrocatalysts: A DFT study

    Sehrish Sarfaraz, Muhammad Yar, Ahmed Lakhani +3

    Maqola20232 iqtibos
    ABI

  24. First-principles investigations of metal (V, Nb, Ta)-doped monolayer MoS2: Structural stability, electronic properties and adsorption of gas molecules

    Jia Zhu, Hui Zhang, Yawen Tong +4

    Maqola20172 iqtibos
    ABI

  25. Ruthenium decorated single walled carbon nanotube for molecular hydrogen storage: A first-principle study

    Valeria Verdinelli, A. Juan, E. D. German

    Maqola20192 iqtibos
    ABI