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RESEARCH PAPER · Applied Catalysis B: Environmental · 2024

Predicting hydrogenolysis reaction barriers of large hydrocarbons on metal surfaces using machine learning: Implications for polymer deconstruction

Xue Zong, Tianjun Xie, Dionisios G. Vlachos

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14 direct citing papers in this saved network. Explore the next layer with second-order citations.

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Predicting hydrogenolysis reaction barriers of large hydrocarbons on metal surfaces using machine learning: Implications for polymer deconstructionOriginalUnraveling the role of water in mechanism changes for economically viable catalytic plastic upcycling43Machine learning assisted approximation of descriptors (CO and OH) binding energy on Cu-based bimetallic alloys4Tandem Catalysis for Plastic Depolymerization: In Situ Hydrogen Generation via Methanol Aqueous Phase Reforming for Sustainable Polyethylene Hydrogenolysis2Tandem Catalysis for Plastic Depolymerization: In Situ Hydrogen Generation via Methanol Aqueous Phase Reforming for Sustainable Polyethylene Hydrogenolysis27Efficient activation of peroxymonosulfate by sulfur-coordinated iron-based two-dimensional composite membrane (S–Fe@G) via sulfur doping and nanoconfined catalysis10AI-driven predictive modelling for syngas yield in hydrothermal biomass gasification9Hydrogen-Free Catalytic Strategies for the Upcycling of Polyolefin Plastics3Enhancing the photoactivation effect on alumina-modified α‑iron for highly efficient photothermal catalytic ammonia synthesis1TiO 2 ‐Supported Ru–Fe Catalysts for the Hydrodeoxygenation of Bis(2‐hydroxyethyl) Terephthalate (BHET) Prepared by the Glycolysis of Polyethylene Terephthalate (PET)1Sustainable polyolefin upcycling using liquid organic hydrogen carrier based hydrogen delivery and hydrocracking11Selective solvent-free upcycling of polyethylene to lube-oil-range hydrocarbons via tuned acid–metal interactions on TiO 2 –ZrO 2 /Ni0Tailoring the polyolefin hydrogenolysis performance of Ru/TiO2 through TiO2 support facet engineering1Multi-objective environmental-economic optimization of rare metal recovery from phosphogypsum: Techno-economic and life cycle assessment driven by machine learning0Catalytic pyrolysis of waste plastics to liquid fuels: pathways, mechanisms, and challenges0

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14 direct citing papers saved.

  1. Unraveling the role of water in mechanism changes for economically viable catalytic plastic upcycling

    Nature Communications · 2024-11-29

    Taeeun Kwon, Byeongchan Ahn, Ki Hyuk Kang, Wangyun Won, Insoo Ro

    Read original paper ↗ ·

  2. Machine learning assisted approximation of descriptors (CO and OH) binding energy on Cu-based bimetallic alloys

    Physical Chemistry Chemical Physics · 2025-01-01

    Pallavi Dandekar, Aditya Singh Ambesh, Tuhin Suvra Khan, Shelaka Gupta

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  3. Tandem Catalysis for Plastic Depolymerization: In Situ Hydrogen Generation via Methanol Aqueous Phase Reforming for Sustainable Polyethylene Hydrogenolysis

    Angewandte Chemie · 2025-01-22

    Junsung Lee, Taeeun Kwon, Ki Hyuk Kang, Wangyun Won, Insoo Ro

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  4. Tandem Catalysis for Plastic Depolymerization: In Situ Hydrogen Generation via Methanol Aqueous Phase Reforming for Sustainable Polyethylene Hydrogenolysis

    Angewandte Chemie International Edition · 2025-01-22

    Junsung Lee, Taeeun Kwon, Ki Hyuk Kang, Wangyun Won, Insoo Ro

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  5. Efficient activation of peroxymonosulfate by sulfur-coordinated iron-based two-dimensional composite membrane (S–Fe@G) via sulfur doping and nanoconfined catalysis

    Journal of Membrane Science · 2025-03-17

    Wenwa Weng, Jiawei Hou, Nigel Graham, Xinyu Yu, Wenzheng Yu, Kening Sun, Ting Liu

    Read original paper ↗ ·

  6. AI-driven predictive modelling for syngas yield in hydrothermal biomass gasification

    Chemical Engineering Science · 2025-06-10

    Bo Wang, Jingcheng Xu, Ding Wang, Yang Wang, Xiaoyu Guo, Shangce Gao, Xiaobo Feng, Guangbo Liu, Guohui Yang, Noritatsu Tsubaki

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  7. Hydrogen-Free Catalytic Strategies for the Upcycling of Polyolefin Plastics

    Korean Journal of Chemical Engineering · 2025-10-20

    Taeeun Kwon, Jae Woo Kim, Insoo Ro

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  8. Enhancing the photoactivation effect on alumina-modified α‑iron for highly efficient photothermal catalytic ammonia synthesis

    Chemical Engineering Journal · 2025-10-28

    Yunyi Ding, Hongshan Ma, Yi Yang, Pei J. Wang, Xing Ding, Xiaohu Zhang, Hao Chen

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  9. TiO 2 ‐Supported Ru–Fe Catalysts for the Hydrodeoxygenation of Bis(2‐hydroxyethyl) Terephthalate (BHET) Prepared by the Glycolysis of Polyethylene Terephthalate (PET)

    ChemSusChem · 2025-11-19

    Yerin Lee, Jeong Hun Kim, Jae‐Wook Choi, Chun‐Jae Yoo, Seongmin Jin, Chang-Soo Kim, Hyunjoo Lee, Kangtaek Lee, Keunhong Jeong, Kyeongsu Kim, Jeong‐Myeong Ha

    Read original paper ↗ ·

  10. Sustainable polyolefin upcycling using liquid organic hydrogen carrier based hydrogen delivery and hydrocracking

    Nature Communications · 2025-12-24

    Taeeun Kwon, Seoyoung Ahn, Taehyup Kim, Jong Hun Kang, Soo-Hwa Jeong, Ki Hyuk Kang, Wangyun Won, Insoo Ro

    Read original paper ↗ ·

  11. Selective solvent-free upcycling of polyethylene to lube-oil-range hydrocarbons via tuned acid–metal interactions on TiO 2 –ZrO 2 /Ni

    Sustainable Energy & Fuels · 2026-01-01

    Muhammad Waqas, Muhammad Naseem Akhtar, Norah Al-Fayez, Wajahat Waheed Kazmi

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  12. Tailoring the polyolefin hydrogenolysis performance of Ru/TiO2 through TiO2 support facet engineering

    Journal of Catalysis · 2026-03-02

    Qinge Fan, Ziyi zhang, Penglong Wang, Penglong Wang, Jicong Yan, Yongna Zhang, Caixia Feng, Li Wang, Li Wang, 常志显, Xiang Wang, Ruifeng Chong

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  13. Multi-objective environmental-economic optimization of rare metal recovery from phosphogypsum: Techno-economic and life cycle assessment driven by machine learning

    Journal of environmental chemical engineering · 2026-08-03

    Jiangpeng Xue, Youwen Li, Lianghuan Wei, Ning Ling, Yuanchuan Ren

    Read original paper ↗ ·

  14. Catalytic pyrolysis of waste plastics to liquid fuels: pathways, mechanisms, and challenges

    Chemical Engineering Science · 2026-09-03

    Qingchen Feng, Jianing Li, Wenxu Yin, Gongcheng Sun, Lijun Zhang

    Read original paper ↗ ·
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