المؤلفون: Pablo G. Lustemberg (3333330), Zhongtian Mao (5818340), Agustín Salcedo (8649075), Beatriz Irigoyen (1916686), M. Verónica Ganduglia-Pirovano (1834411), Charles T. Campbell (1285473)

مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Biotechnology, Evolutionary Biology, Ecology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Methane Conversions, CeO, step edge, site, theory calculations, activation barrier, Ni nanoparticles, Holy Grails, catalysis research, step edges, dissociative adsorption, Ni chemical, nature, Active Sites, catalyst, CH 4, energy technologies, cationic Ni atoms, charge transfer

Relation: https://figshare.com/articles/journal_contribution/Nature_of_the_Active_Sites_on_Ni_CeO_sub_2_sub_Catalysts_for_Methane_Conversions/15152209

الاتاحة: https://doi.org/10.1021/acscatal.1c02154.s001

المؤلفون: Agustín Salcedo (8649075), Pablo G. Lustemberg (10009447), Ning Rui (5950289), Robert M. Palomino (3896905), Zongyuan Liu (1525858), Slavomir Nemsak (1623880), Sanjaya D. Senanayake (1443955), José A. Rodriguez (1446364), M. Verónica Ganduglia-Pirovano (1834411), Beatriz Irigoyen (1916686)

مصطلحات موضوعية: Biochemistry, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, water activation, ambient-pressure X-ray photoelectro., fuel cell applications demands deve., CH x O, eV, barrier, OH-assisted CO formation, Coke-Free Methane Steam Reforming, COH, AP-XPS, MSR, Ni-based catalysts, DFT, pathway, ceria

Relation: https://figshare.com/articles/journal_contribution/Reaction_Pathway_for_Coke-Free_Methane_Steam_Reforming_on_a_Ni_CeO_sub_2_sub_Catalyst_Active_Sites_and_the_Role_of_Metal_Support_Interactions/14828881

الاتاحة: https://doi.org/10.1021/acscatal.1c01604.s001

المؤلفون: Agustin Salcedo (10879290), Pablo Lustemberg (7460171), Ning Rui (9904312), Robert M. Palomino (10883708), Zongyuan Liu (9904311), Slavomir Nemsak (10883711), Sanjaya D. Senanayake (9304443), José A. Rodriguez (9304489), M. V. Ganduglia-Pirovano (7481885), Beatriz Irigoyen (10883714)

مصطلحات موضوعية: Computational Chemistry and Modeling, Heterogeneous Catalysis, Methane, Steam Reforming, Hydrogen, Nickel, Ceria, DFT

Relation: https://figshare.com/articles/preprint/Reaction_Pathway_for_Coke-Free_Methane_Steam_Reforming_on_a_Ni_CeO2_Catalyst_Active_Sites_and_Role_of_Metal-Support_Interactions/14686740

الاتاحة: https://doi.org/10.26434/chemrxiv.14686740.v1

المؤلفون: Sanjaya D. Senanayake, Zongyuan Liu, Slavomír Nemšák, Beatriz Irigoyen, Robert M. Palomino, Ning Rui, M. Verónica Ganduglia-Pirovano, Agustín Salcedo, Pablo G. Lustemberg, José A. Rodriguez

المصدر: ACS Catalysis
ACS catalysis, vol 11, iss 13

مصطلحات موضوعية: Hydrogen, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, DFT, 01 natural sciences, 7. Clean energy, Catalysis, Methane, Inorganic Chemistry, Steam reforming, nickel, chemistry.chemical_compound, Dehydrogenation, Hydrogen production, methane, Organic Chemistry, General Chemistry, Coke, Chemical Engineering, 021001 nanoscience & nanotechnology, steam reforming, ceria, 0104 chemical sciences, chemistry, Chemical engineering, hydrogen, 0210 nano-technology, Research Article, Syngas

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f76ab2c5d20d0d320618b8c8ef1e9a0
https://doi.org/10.1021/acscatal.1c01604

المؤلفون: David C. Grinter, Michael Allan, Hyun Jin Yang, Agustín Salcedo, Gustavo E. Murgida, Bobbie‐Jean Shaw, Chi L. Pang, Hicham Idriss, M. Verónica Ganduglia‐Pirovano, Geoff Thornton

المصدر: Angewandte Chemie. 133:13954-13958

مصطلحات موضوعية: General Medicine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::95e7b273842963c93b12990954240800
https://doi.org/10.1002/ange.202101771

المؤلفون: Michael Allan, M. Verónica Ganduglia-Pirovano, David C. Grinter, Geoff Thornton, Bobbie-Jean Shaw, Agustín Salcedo, Hyun Jin Yang, Gustavo E. Murgida, Chi L. Pang, Hicham Idriss

المصدر: Angewandte Chemie (International Ed. in English)

مصطلحات موضوعية: Lanthanide, Materials science, multiple bonds, Oxide, 010402 general chemistry, Heterogeneous catalysis, 01 natural sciences, Catalysis, Coordination complex, chemistry.chemical_compound, chemistry.chemical_classification, Low-energy electron diffraction, 010405 organic chemistry, Communication, Electron energy loss spectroscopy, Metal Oxides, scanning tunnelling microscopy, General Chemistry, cerium dioxide, Communications, 0104 chemical sciences, heterogeneous catalysis, chemistry, density functional calculations, Physical chemistry, Density functional theory

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3bbc74e543ca57f20708eada474abae4
https://doi.org/10.1002/anie.202101771

المؤلفون: Agustín Salcedo, Beatriz Irigoyen

المصدر: Physical Chemistry Chemical Physics. 23:3826-3836

مصطلحات موضوعية: Materials science, Bond strength, General Physics and Astronomy, 02 engineering and technology, Activation energy, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Bond-dissociation energy, Water-gas shift reaction, 0104 chemical sciences, Catalysis, Methanation, Physical chemistry, Physical and Theoretical Chemistry, 0210 nano-technology, Selectivity, Hydrogen production

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::4325c7efc4c57e1e5192c8d5d6953a5d
https://doi.org/10.1039/d0cp05613h

المؤلفون: Beatriz Irigoyen, Agustín Salcedo

المصدر: The Journal of Physical Chemistry C. 124:7823-7834

مصطلحات موضوعية: Thesaurus (information retrieval), Chemical substance, Materials science, Hydrogen, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Water-gas shift reaction, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, General Energy, chemistry, Chemical engineering, Physical and Theoretical Chemistry, 0210 nano-technology, Science, technology and society, Syngas

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::485390b976179e72ef224b9e2363728a
https://doi.org/10.1021/acs.jpcc.0c00229

المؤلفون: Agustín Salcedo, Eduardo Poggio-Fraccari, Fernando Mariño, Beatriz Irigoyen

المصدر: Applied Surface Science. 599:153963

مصطلحات موضوعية: General Physics and Astronomy, Surfaces and Interfaces, General Chemistry, Condensed Matter Physics, Surfaces, Coatings and Films

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::b547d19f9a26436b1292fc48b7358548
https://doi.org/10.1016/j.apsusc.2022.153963

المؤلفون: M. Verónica Ganduglia-Pirovano, Charles T. Campbell, Pablo G. Lustemberg, Beatriz Irigoyen, Zhongtian Mao, Agustín Salcedo

المصدر: ACS Catalysis

مصطلحات موضوعية: Materials science, Nanoparticle, 02 engineering and technology, 010402 general chemistry, 7. Clean energy, 01 natural sciences, Catalysis, Methane, chemistry.chemical_compound, ceria support, dry reforming, Ni nanoparticles, Bond cleavage, metal-support interaction, Carbon dioxide reforming, General Chemistry, 021001 nanoscience & nanotechnology, selective oxidation, 0104 chemical sciences, metal/oxide interface, chemistry, Chemical engineering, particle size effect, Density functional theory, metal−support interaction, Methanol, 0210 nano-technology, methane to methanol, Syngas, Research Article

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::db21d9e524018206006db573a4d72e6f
https://zenodo.org/record/5575091

المؤلفون: Agustín Salcedo, Ignacio Daniel Iglesias, Beatriz Irigoyen, Fernando Mariño

المصدر: Applied Surface Science. 458:397-404

مصطلحات موضوعية: Methane reformer, Hydrogen, Chemistry, Inorganic chemistry, General Physics and Astronomy, chemistry.chemical_element, 02 engineering and technology, Surfaces and Interfaces, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Methane, 0104 chemical sciences, Surfaces, Coatings and Films, Catalysis, Homolysis, Steam reforming, chemistry.chemical_compound, 0210 nano-technology, Syngas, Hydrogen production

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::a89f99a4266e3d63cdc843de4ddfc02e
https://doi.org/10.1016/j.apsusc.2018.07.090

المؤلفون: Agustin Salcedo, Anastassia N. Alexandrova, David Loffreda, Carine Michel

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Neuroscience, Ecology, Cancer, Computational Biology, Chemical Sciences not elsewhere classified, yet well understood, stronger adsorption sites, lowest energy facet, experimental observations suggest, consistent atomistic framework, combine several approaches, largest nanoparticles remain, supported platinum nanoparticles, promote oxidative dispersion, 2 , stabilize smaller clusters, eventually single atoms, supported pt nanoparticles, nanoparticles 1, supported pt, smaller particles, single atoms, typically narrowed, stable species, relative stability, promising avenue

Relation: https://figshare.com/articles/journal_contribution/Role_of_Oxidizing_Conditions_in_the_Dispersion_of_Supported_Platinum_Nanoparticles_Explored_by_Ab_Initio_Modeling/25263000

الاتاحة: https://doi.org/10.1021/acs.jpcc.4c00355.s001
https://figshare.com/articles/journal_contribution/Role_of_Oxidizing_Conditions_in_the_Dispersion_of_Supported_Platinum_Nanoparticles_Explored_by_Ab_Initio_Modeling/25263000