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Ушбу иш иқтибос қилган ишлар

200 та иш

Иш: Accelerating single-atom ORR catalyst discovery through theory and machine learning: a critical review

  1. Single transition metal atom embedded antimonene monolayers as efficient trifunctional electrocatalysts for the HER, OER and ORR: a density functional theory study

    Song Lu, Huong Lan Huynh, Fengliu Lou +2

    Мақола20212 иқтибос
    ABI

  2. Accelerating the structure search of catalysts with machine learning

    Eric Musa, FRANCIS DOHERTY, Bryan R. Goldsmith

    Мақола20212 иқтибос
    ABI

  3. Recent advancements in Pt and Pt-free catalysts for oxygen reduction reaction

    Yao Nie, Li Li, Zidong Wei

    Шарҳ мақола20152 иқтибос
    ABI

  4. Nanoscale Structure Design for High‐Performance Pt‐Based ORR Catalysts

    Meiling Liu, Zipeng Zhao, Xiangfeng Duan +1

    Шарҳ мақола20182 иқтибос
    ABI

  5. Autonomous Chemical Experiments: Challenges and Perspectives on Establishing a Self-Driving Lab

    Martin Seifrid, Robert Pollice, Andrés Aguilar‐Granda +6

    Мақола20222 иқтибос
    ABI

  6. Self-Driving Laboratories for Chemistry and Materials Science

    Gary Tom, Stefan P. Schmid, Sterling G. Baird +13

    Шарҳ мақола20242 иқтибос
    ABI

  7. Advancement of Platinum (Pt)-Free (Non-Pt Precious Metals) and/or Metal-Free (Non-Precious-Metals) Electrocatalysts in Energy Applications: A Review and Perspectives

    Mahesh Datt Bhatt, Jin Yong Lee

    Шарҳ мақола20202 иқтибос
    ABI

  8. Role of atomic substitution in first coordination shell of Fe–N–C single atom catalyst towards oxygen reduction reaction: A theoretical study

    Monika Singh, Dipak K. Das, Anuj Kumar

    Мақола20242 иқтибос
    ABI

  9. Tailoring of Fe-N-C single atom catalyst's coordination spheres via S-doping for oxygen reduction reaction activity: a DFT study

    Monika Singh, Dipak K. Das, Anuj Kumar

    Мақола20252 иқтибос
    ABI

  10. Сарлавҳасиз

    Бошқа2 иқтибос
    ABI

  11. Machine learning in computational chemistry: interplay between (non)linearity, basis sets, and dimensionality

    Sergei Manzhos, Shunsaku Tsuda, Manabu Ihara

    Шарҳ мақола20222 иқтибос
    ABI

  12. A general-purpose machine learning framework for predicting properties of inorganic materials

    Logan Ward, Ankit Agrawal, Alok Choudhary +1

    Мақола20162 иқтибос
    ABI

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

    Rui Lang, Xiaorui Du, Yike Huang +7

    Шарҳ мақола20202 иқтибос
    ABI

  14. Density Functional Theory for Battery Materials

    Qiu He, Bin Yu, Zhaohuai Li +1

    Мақола20192 иқтибос
    ABI

  15. Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

    Jess Wellendorff, Keld T. Lundgaard, Andreas Møgelhøj +5

    Мақола20122 иқтибос
    ABI

  16. Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning

    Aditya Nandy, Chenru Duan, Michael G. Taylor +3

    Шарҳ мақола20212 иқтибос
    ABI

  17. Powered by DFT: Screening Methods That Accelerate Materials Development for Hydrogen in Metals Applications

    Kelly M. Nicholson, Nita Chandrasekhar, David S. Sholl

    Мақола20142 иқтибос
    ABI

  18. Molecular electrocatalysts for the oxygen reduction reaction

    Subal Dey, Biswajit Mondal, Sudipta Chatterjee +3

    Шарҳ мақола20172 иқтибос
    ABI

  19. An improved d-band model of the catalytic activity of magnetic transition metal surfaces

    Satadeep Bhattacharjee, Umesh V. Waghmare, Seung‐Cheol Lee

    Мақола20162 иқтибос
    ABI

  20. Carbon-based single atom catalysts for tailoring the ORR pathway: a concise review

    Jinwen Hu, Wei Liu, Cuncun Xin +6

    Шарҳ мақола20212 иқтибос
    ABI

  21. Descriptors for the Evaluation of Electrocatalytic Reactions: d‐Band Theory and Beyond

    Shilong Jiao, Xianwei Fu, Hongwen Huang

    Мақола20212 иқтибос
    ABI

  22. Oxygen Evolution/Reduction Reaction Catalysts: From <i>In Situ</i> Monitoring and Reaction Mechanisms to Rational Design

    Yonggui Zhao, Devi Prasad Adiyeri Saseendran, Chong Huang +5

    Шарҳ мақола20232 иқтибос
    ABI

  23. Defects in Carbon-Based Materials for Electrocatalysis: Synthesis, Recognition, and Advances

    Yi Jia, Xiangdong Yao

    Мақола20232 иқтибос
    ABI

  24. Machine Learning Descriptors for Data‐Driven Catalysis Study

    Li-Hui Mou, TianTian Han, Pieter E. S. Smith +2

    Шарҳ мақола20232 иқтибос
    ABI

  25. Unified ORR mechanism criteria <i>via</i> charge–spin–coordination of Fe functional units

    Kexin Song, Bin Yang, Xu Zou +2

    Мақола20232 иқтибос
    ABI