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Works cited by this work

97 works

Work: Highly efficient lanthanum- and actinium-doped B6/B8 complexes as single-atom catalysts toward superior hydrogen evolution reaction: a DFT perspective

  1. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

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  2. Silicon Carbide Based Nanotubes as a Sensing Material for Gaseous H2SiCl2

    Mohsen Doust Mohammadi, Hewa Y. Abdullah, Somnath Bhowmick +1

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  3. Exploration of hydrogen evolution reaction (HER) by using first row transition metals doped B6 complexes as support materials

    Naveen Kosar, Tariq Mahmood, Abdulrahman Allangawi +2

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  4. Scrutinization of late first-row transition metals decorated octagonal boron (B8) ring complexes as single-atom catalysts for green hydrogen and oxygen production

    Naveen Kosar, Tariq Mahmood, Muhammad Arshad +2

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  5. Single‐Atom Catalysts: A Sustainable Pathway for the Advanced Catalytic Applications

    Baljeet Singh, Vikas Sharma, Rahul P. Gaikwad +3

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  6. High-Temperature Gas Sensor Based on Novel Pt Single Atoms@SnO<sub>2</sub> Nanorods@SiC Nanosheets Multi-heterojunctions

    Lian Sun, Bing Wang, Yingde Wang

    Article20203 citations
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  7. The adsorption of bromochlorodifluoromethane on pristine and Ge-doped silicon carbide nanotube: a PBC-DFT, NBO, and QTAIM study

    Mohsen Doust Mohammadi, Hewa Y. Abdullah

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  8. Directly anchoring non-noble metal single atoms on 1T-TMDs with tip structure for efficient hydrogen evolution

    Wenda Zhou, Zhenzhen Jiang, Mingyue Chen +7

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  9. Modulating electronic structure of metal-organic frameworks by introducing atomically dispersed Ru for efficient hydrogen evolution

    Yamei Sun, Ziqian Xue, Qinglin Liu +7

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  10. High Durability of Fe–N–C Single‐Atom Catalysts with Carbon Vacancies toward the Oxygen Reduction Reaction in Alkaline Media

    Hao Tian, Ailing Song, Peng Zhang +9

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  11. Precious Metal Free Hydrogen Evolution Catalyst Design and Application

    Anders Agentoft Feidenhans'l, Yagya N. Regmi, Chao Wei +3

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  12. Systematic ab initio investigation of bare boron clusters:mDetermination of the geometryand electronic structures of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">B</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="normal">n</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>(n=2–14)

    Ihsan Boustani

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  13. Atmospheric implications of hydration on the formation of methanesulfonic acid and methylamine clusters: A theoretical study

    Dongping Chen, Danfeng Li, Changwei Wang +3

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  14. Carbon-Based Single-Atom Catalysts for Advanced Applications

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  15. Single‐Atom Catalysts for Electrocatalytic Applications

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  16. Hydrogen evolution/spillover effect of single cobalt atom on anatase TiO2 from first-principles calculations

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  17. Ab Initio Investigation of the Hydrogen Interaction on Two Dimensional Silicon Carbide

    Phi Minh Nguyen, Hoa Van Nguyen, Vi Toan Lam +3

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  18. Heteronanostructures constructed from vertical MoS2 nanosheets on sepiolite nanofibers boosting electrocatalytic hydrogen evolution

    Kang Peng, Jingying Ye, Linjie Zuo +6

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  19. Rare Earth Single-Atom Catalysts for Nitrogen and Carbon Dioxide Reduction

    Jieyuan Liu, Xue Jun Kong, Lirong Zheng +3

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  20. High-throughput screening of transition metal single-atom catalyst anchored on Janus MoSSe basal plane for hydrogen evolution reaction

    Chengwei Xiao, Rongjian Sa, Zuju Ma +5

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  21. Electrocatalytic activity of metal encapsulated, doped, and engineered fullerene-based nanostructured materials towards hydrogen evolution reaction

    Hitler Louis, Onyinye J. Ikenyirimba, Tomsmith O. Unimuke +3

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  22. Investigation of the adsorption and sensor properties of resorcinol (RSL) on X9N9 (X = Al, B, Ga, In) nanorings by DFT and QTAIM analysis with solvent effects

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  23. Ir Single Atom Catalyst Loaded on Amorphous Carbon Materials with High HER Activity

    Chunxiang Liu, Ganghuo Pan, Nianjie Liang +3

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  24. Single-Atom Catalysts: From Design to Application

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  25. Single-Atom Catalysts Based on the Metal–Oxide Interaction

    Rui Lang, Xiaorui Du, Yike Huang +7

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