المؤلفون: Chunyang Dong, Yinghao Wang, Ziqi Deng, Wenchao Wang, Maya Marinova, Karima Ben Tayeb, Jean-Charles Morin, Melanie Dubois, Martine Trentesaux, Yury G. Kolyagin, My Nghe Tran, Vlad Martin-Diaconescu, Olga Safonova, Jeremie Zaffran, Andrei Y. Khodakov, Vitaly V. Ordomsky

المصدر: Nature Communications, Vol 15, Iss 1, Pp 1-12 (2024)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2041-1723

URL الوصول: https://doaj.org/article/4ddb8a9cc5d04b98a1a287ca6cff1aea

المؤلفون: Jérémie Zaffran, Minyang Jiao, Raphaël Wischert, Stéphane Streiff, Sébastien Paul

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, small molecular fragment, single thermodynamic descriptor, single adsorbate relaxation, second one including, density functional theory, accelerated computational design, main reaction products, first one involving, complex ml techniques, heavy dft computations, solid catalyst surface, several descriptors related, based supported catalysts, solid catalysts, several species, model reaction, ml ), first interest, various surfaces, various fields, tremendous gain, transition state, strategy relies, still relevant

Relation: https://figshare.com/articles/journal_contribution/Upgrading_the_Density_Functional_Theory_with_Machine_Learning_for_the_Fast_Prediction_of_Polyaromatic_Reactivity_at_Bimetallic_Catalysts/25400327

الاتاحة: https://doi.org/10.1021/acs.jpcc.4c00461.s001

المؤلفون: Chunyang Dong (2884424), Maya Marinova (1623877), Karima Ben Tayeb (14317081), Olga V. Safonova (1484872), Yong Zhou (23772), Di Hu (12438), Sergei Chernyak (2380456), Massimo Corda (14317084), Jérémie Zaffran (1585900), Andrei Y. Khodakov (1675924), Vitaly V. Ordomsky (1734685)

مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Neuroscience, Biotechnology, Ecology, Inorganic Chemistry, Infectious Diseases, Plant Biology, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, spectroscopy investigation suggests, photocatalytic oxidative carbonylation, oxidant direct functionalization, optimized photocatalyst consists, environmentally unfriendly carbonylation, derived hydroxyl radicals, ammonium phosphotungstic polyoxometalate, synthesize acetic acid, acetic acid solution, 4 , 2 , 1 , methane activation facilitated, direct photocatalytic synthesis, acetic acid, situ <, still one, stable synthesis, modern science

Relation: https://figshare.com/articles/journal_contribution/Direct_Photocatalytic_Synthesis_of_Acetic_Acid_from_Methane_and_CO_at_Ambient_Temperature_Using_Water_as_Oxidant/21803869

الاتاحة: https://doi.org/10.1021/jacs.2c10840.s001

المؤلفون: Elena S. Davydova, Jérémie Zaffran, Kapil Dhaka, Maytal Caspary Toroker, Dario R. Dekel

المصدر: Catalysts; Volume 8; Issue 10; Pages: 454

مصطلحات موضوعية: metal doping, nickel-based catalyst, transition metals, synthesis, hydrogen oxidation reaction, exchange current density, alkaline medium, DFT, hydrogen binding energy, hydroxide binding energy

وصف الملف: application/pdf

Relation: Electrocatalysis; https://dx.doi.org/10.3390/catal8100454

الاتاحة: https://doi.org/10.3390/catal8100454

المؤلفون: Jeremie Zaffran, Bo Yang

المصدر: ChemCatChem. 13:2674-2682

مصطلحات موضوعية: Inorganic Chemistry, chemistry.chemical_compound, Ethylene, Materials science, chemistry, Chemical engineering, Organic Chemistry, Fischer–Tropsch process, Methanol, Physical and Theoretical Chemistry, Catalysis, Methane, Mechanism (sociology)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::8ecabaeb1184b344129c0809bad7b203
https://doi.org/10.1002/cctc.202100216

المؤلفون: Panpan Wu, Jeremie Zaffran, Dongyang Xu, Bo Yang

المصدر: The Journal of Physical Chemistry C. 124:15977-15987

مصطلحات موضوعية: Surface (mathematics), Reaction mechanism, Materials science, Intermetallic, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Method development, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Catalysis, chemistry.chemical_compound, General Energy, Chemical engineering, chemistry, Density functional theory, Methanol, Physical and Theoretical Chemistry, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::8797b72a5db434a271ee6e63dffd591b
https://doi.org/10.1021/acs.jpcc.0c03975

المؤلفون: Karen Silva Vargas, Jeremie Zaffran, Marcia Araque, Masahiro Sadakane, Benjamin Katryniok

المصدر: Molecular Catalysis. 535:112856

مصطلحات موضوعية: Process Chemistry and Technology, Physical and Theoretical Chemistry, Catalysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::9da026e8f7306ee43438e5d321509d48
https://doi.org/10.1016/j.mcat.2022.112856

المؤلفون: Jeremie Zaffran, Bo Yang, Kunran Yang

المصدر: Physical Chemistry Chemical Physics. 22:890-895

مصطلحات موضوعية: Nanotube, Doping, General Physics and Astronomy, chemistry.chemical_element, 02 engineering and technology, Carbon nanotube, Overpotential, 010402 general chemistry, 021001 nanoscience & nanotechnology, Curvature, 01 natural sciences, Nitrogen, 0104 chemical sciences, law.invention, Adsorption, chemistry, law, Chemical physics, Physical and Theoretical Chemistry, 0210 nano-technology, Boron

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d202934211b0a1e86a3914bbd964496d
https://doi.org/10.1039/c9cp04885e

المؤلفون: Yair Ein-Eli, Natav Yatom, H. Shasha, Santu Biswas, M. Caspary Toroker, M. Prill, Doron Aurbach, Jeremie Zaffran

المصدر: Journal of Solid State Electrochemistry. 23:3209-3216

مصطلحات موضوعية: Materials science, Diffusion, Ionic bonding, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Electrochemistry, 01 natural sciences, Energy storage, Cathode, 0104 chemical sciences, law.invention, Ion, Chemical engineering, law, Electrode, General Materials Science, Density functional theory, Electrical and Electronic Engineering, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::460a4802a3323b765c9b92964163ae98
https://doi.org/10.1007/s10008-019-04401-7

المؤلفون: Maytal Caspary Toroker, Lisa J. Enman, Christina D. M. Trang, Ester Hamal Korkus, Matthew G. Kast, Michaela Burke Stevens, James Asbury, Jeremie Zaffran, Shannon W. Boettcher

المصدر: Nano Research. 12:2288-2295

مصطلحات موضوعية: Materials science, Inorganic chemistry, Oxygen evolution, chemistry.chemical_element, 02 engineering and technology, Electrolyte, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Catalysis, chemistry.chemical_compound, Nickel, chemistry, Electrical resistivity and conductivity, Hydroxide, General Materials Science, Electrical and Electronic Engineering, Cyclic voltammetry, 0210 nano-technology, Cobalt

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::05df86bc52d5ee9158803852666c4ccd
https://doi.org/10.1007/s12274-019-2391-y

المؤلفون: Carine, Michel, Jérémie, Zaffran, Ruppert, Agnieszka M., Matras-Michalska, Joanna, Jędrzejczyk, Marcin, Grams, Jacek, Sautet, Philippe

وصف الملف: application/pdf

Relation: Chemical Communications, Vol.50, Issue 83, 2014; Chemical Communications, Vol.50, Issue 83, pages 12450-12453; http://hdl.handle.net/11652/1121; http://pubs.rsc.org/en/content/articlelanding/2014/cc/c4cc04401k#!divAbstract

الاتاحة: http://hdl.handle.net/11652/1121
http://pubs.rsc.org/en/content/articlelanding/2014/cc/c4cc04401k#!divAbstract

المؤلفون: Jeremie Zaffran, Maytal Caspary Toroker

المصدر: ChemElectroChem. 4:2764-2770

مصطلحات موضوعية: Materials science, Hydrogen, Nickel oxide, Oxygen evolution, chemistry.chemical_element, Nanotechnology, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Catalysis, 0104 chemical sciences, Nickel, chemistry, Electrochemistry, Water splitting, Density functional theory, Reactivity (chemistry), 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::84d62368795c3a2c40a01be06c585b80
https://doi.org/10.1002/celc.201700445

المؤلفون: Michaela Burke Stevens, Maytal Caspary Toroker, Mahran Shehadeh, Shannon W. Boettcher, Christina D. M. Trang, Jeremie Zaffran, Michael Nagli

المصدر: Chemistry of Materials. 29:4761-4767

مصطلحات موضوعية: inorganic chemicals, Chemistry, General Chemical Engineering, Inorganic chemistry, Oxygen evolution, 02 engineering and technology, General Chemistry, Reaction intermediate, Electrolyte, Overpotential, 010402 general chemistry, 021001 nanoscience & nanotechnology, Alkali metal, 01 natural sciences, 0104 chemical sciences, Catalysis, Spectator ion, Materials Chemistry, Qualitative inorganic analysis, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::dca1209c9821c2ef10b63273f50f42a7
https://doi.org/10.1021/acs.chemmater.7b00517

المؤلفون: Maytal Caspary Toroker, Jeremie Zaffran

المصدر: ChemistrySelect. 1:911-916

مصطلحات موضوعية: Materials science, Chemical engineering, Doping, Water splitting, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 0210 nano-technology, 01 natural sciences, 0104 chemical sciences, Catalysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ec68aef70bb851753c2b7d430c42109c
https://doi.org/10.1002/slct.201600135

المؤلفون: Kunran Yang, Jeremie Zaffran, Bo Yang

المصدر: Physical Chemistry Chemical Physics. 23:4454-4454

مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::8e99c99ae2871dd5bd904cc1145266c0
https://doi.org/10.1039/d1cp90025k

المؤلفون: Bo Yang, Shuyue Chen, Jeremie Zaffran

المصدر: Applied Catalysis B: Environmental. 270:118859

مصطلحات موضوعية: Reaction mechanism, Carbon dioxide reforming, biology, Process Chemistry and Technology, chemistry.chemical_element, Active site, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Photochemistry, 01 natural sciences, Catalysis, Methane, Dissociation (chemistry), 0104 chemical sciences, Chemical kinetics, chemistry.chemical_compound, chemistry, biology.protein, 0210 nano-technology, Cobalt, General Environmental Science

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ea7418937c4bf8ab0a254e41f74c16c8
https://doi.org/10.1016/j.apcatb.2020.118859

المؤلفون: Maytal Caspary Toroker, Mahran Shehadeh, Jeremie Zaffran, Michael Nagli

المصدر: Theoretical Chemistry Accounts. 137

مصطلحات موضوعية: Materials science, Nickel oxide, Intercalation (chemistry), chemistry.chemical_element, 02 engineering and technology, Electrolyte, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Exfoliation joint, 0104 chemical sciences, Catalysis, Nickel, chemistry, Chemical engineering, Photocatalysis, Water splitting, Physical and Theoretical Chemistry, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::04e3a13a0e667aa15bef641b0f964b64
https://doi.org/10.1007/s00214-017-2175-y

المؤلفون: Maytal Caspary Toroker, Jeremie Zaffran

المصدر: Journal of chemical theory and computation. 12(8)

مصطلحات موضوعية: Chemistry, Band gap, 02 engineering and technology, Electronic structure, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, London dispersion force, 0104 chemical sciences, Computer Science Applications, Hybrid functional, symbols.namesake, Computational chemistry, Chemical physics, Lattice (order), symbols, Density functional theory, Physical and Theoretical Chemistry, van der Waals force, 0210 nano-technology, Material properties

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bc8a49b3a5c000a96d13ee573e6411a8
https://pubmed.ncbi.nlm.nih.gov/27420033

المؤلفون: Valeria Butera, Maytal Caspary Toroker, Vicky Fidelsky, Jeremie Zaffran

المصدر: Theoretical Chemistry Accounts. 135

مصطلحات موضوعية: Critical perspective, Chemistry, chemistry.chemical_element, Nanotechnology, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Catalysis, Nickel, chemistry.chemical_compound, Nickel oxides, Water splitting, Physical and Theoretical Chemistry, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::62e6ed57acbd8efc9ba1a443450a23f1
https://doi.org/10.1007/s00214-016-1915-8

المؤلفون: Rafi Kalish, Joan Adler, Amihai Silverman, Jeremie Zaffran, A. Sorkin, Or Cohen

المصدر: Computer Physics Communications. 182:2009-2012

مصطلحات موضوعية: Materials science, General Physics and Astronomy, chemistry.chemical_element, Diamond, Nanotechnology, engineering.material, Amorphous solid, Visualization, Amorphous carbon, chemistry, Hardware and Architecture, engineering, Graphite, Nanodiamond, Carbon, Electronic density

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::67db552c174e00ccfaa13e623574afae
https://doi.org/10.1016/j.cpc.2010.12.006