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Xavier, Neubi F., Bauerfeldt, Glauco F., Sacchi, Marco (2023) First-Principles Microkinetic Modeling Unravelling the Performance of Edge-Decorated Nanocarbons for Hydrogen Production from Methane. ACS Applied Materials & Interfaces, 15 (5) 6951-6962 doi:10.1021/acsami.2c20937

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Reference TypeJournal (article/letter/editorial)
TitleFirst-Principles Microkinetic Modeling Unravelling the Performance of Edge-Decorated Nanocarbons for Hydrogen Production from Methane
JournalACS Applied Materials & Interfaces
AuthorsXavier, Neubi F.Author
Bauerfeldt, Glauco F.Author
Sacchi, MarcoAuthor
Year2023 (February 8)Volume15
Issue5
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acsami.2c20937Search in ResearchGate
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Mindat Ref. ID15694963Long-form Identifiermindat:1:5:15694963:9
GUID0
Full ReferenceXavier, Neubi F., Bauerfeldt, Glauco F., Sacchi, Marco (2023) First-Principles Microkinetic Modeling Unravelling the Performance of Edge-Decorated Nanocarbons for Hydrogen Production from Methane. ACS Applied Materials & Interfaces, 15 (5) 6951-6962 doi:10.1021/acsami.2c20937
Plain TextXavier, Neubi F., Bauerfeldt, Glauco F., Sacchi, Marco (2023) First-Principles Microkinetic Modeling Unravelling the Performance of Edge-Decorated Nanocarbons for Hydrogen Production from Methane. ACS Applied Materials & Interfaces, 15 (5) 6951-6962 doi:10.1021/acsami.2c20937
In(2023, February) ACS Applied Materials & Interfaces Vol. 15 (5) American Chemical Society (ACS)

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Xavier, Neubi F., Payne, Anthony J. R., Bauerfeldt, Glauco F., Sacchi, Marco (2023) Theoretical insights into the methane catalytic decomposition on graphene nanoribbons edges. Frontiers in Chemistry, 11. doi:10.3389/fchem.2023.1172687
Xavier, Neubi F, da Silva, Antonio M, Sacchi, Marco, Bauerfeldt, Glauco F (2022) Decarboxylation of glycine on icy grain surfaces: a first-principle investigation. Monthly Notices of the Royal Astronomical Society, 517 (4) 5912-5920 doi:10.1093/mnras/stac2943
Payne, Anthony J. R., Xavier, Neubi F., Bauerfeldt, Glauco F., Sacchi, Marco (2022) Dehydrogenation of ammonia on free-standing and epitaxial hexagonal boron nitride. Physical Chemistry Chemical Physics, 24 (34) 20426-20436 doi:10.1039/d2cp01392d
Xavier, Neubi F., Bauerfeldt, Glauco F. (2021) Determination of the Cohesive Properties and Sublimation Temperatures of Glycine Polymorphs. Crystal Growth & Design, 21 (11) 6266-6275 doi:10.1021/acs.cgd.1c00724
Jiao, Hui, Wang, Gui-Chang (2024) Dry Reforming of Methane on Ni/LaZrO2 Catalyst under External Electric Fields: A Combined First-Principles and Microkinetic Modeling Study. ACS Applied Materials & Interfaces, 16 (27) 35166-35178 doi:10.1021/acsami.4c06654
Xavier, Neubi Francisco, da Silva, Antônio Marques, Bauerfeldt, Glauco F. (2020) What Rules the Relative Stability of α-, β-, and γ-Glycine Polymorphs?. Crystal Growth & Design, 20 (7) 4695-4706 doi:10.1021/acs.cgd.0c00489
Chen, Xi, Yang, Jiaqiang, Liu, Zhang, Wen, Yanwei, Chen, Rong, Chang, Shiying, Zhang, Aimin, Du, Chun, Shan, Bin (2023) Origin of Ammonia Selective Oxidation Activity of SmMn2O5 Mullite: A First-Principles-Based Microkinetic Study. ACS Applied Materials & Interfaces, 15 (1) 736-750 doi:10.1021/acsami.2c13501
Garg, Kalpana, Kumar, Mukesh, Kaur, Sukhjot, Nagaiah, Tharamani C. (2023) Electrochemical Production of Hydrogen from Hydrogen Sulfide Using Cobalt Cadmium Sulfide. ACS Applied Materials & Interfaces, 15 (23) 27845-27852 doi:10.1021/acsami.3c01318
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