Accelerating the Design of Photocatalytic Surfaces for Antimicrobial Application: Machine Learning Based on a Sparse Dataset

Autor: Heesoo Park, El Tayeb Bentria, Sami Rtimi, Abdelilah Arredouani, Halima Bensmail, Fedwa El-Mellouhi

Publikováno v: Catalysts, Vol 11, Iss 8, p 1001 (2021)

Nowadays, most experiments to synthesize and test photocatalytic antimicrobial materials are based on trial and error. More often than not, the mechanism of action of the antimicrobial activity is unknown for a large spectrum of microorganisms. Here,

Externí odkaz: https://doaj.org/article/331c07e4b7064d77b589da5f34d0ef8d

Toward a better understanding of the enhancing/embrittling effects of impurities in Nickel grain boundaries

Autor: Mohammed Benali Kanoun, Souraya Goumri-Said, Bachir Bentria, Ibn Khaldoun Lefkaier, El Tayeb Bentria, Ali Benghia

Publikováno v: Scientific Reports, Vol 9, Iss 1, Pp 1-10 (2019)
Scientific Reports

The fracture path follows grain boundaries (GB) in most metallic system under tensile test. In general, impurities, even in ppm concentration, that segregate to these boundaries can remarkably change materials mechanical properties. Predicting impuri

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::96470e988903abb59c8e45d751ee7713
http://link.springer.com/article/10.1038/s41598-019-50361-3

Capturing the Iron Carburization Mechanisms from the Surface to Bulk

Autor: Normand Mousseau, Charlotte Becquart, Salawu Omotayo Akande, Othmane Bouhali, El Tayeb Bentria, Fedwa El-Mellouhi

Publikováno v: Journal of Physical Chemistry C
Journal of Physical Chemistry C, American Chemical Society, 2020, The Journal of Physical Chemistry C, 124 (52), pp.28569-28579. ⟨10.1021/acs.jpcc.0c09001⟩
Journal of Physical Chemistry C, 2020, The Journal of Physical Chemistry C, 124 (52), pp.28569-28579. ⟨10.1021/acs.jpcc.0c09001⟩

Reactive force field molecular dynamics is a powerful tool to simulate large-scale reactive events such as catalytic reactions and metallic corrosion, including the carburization or so-called metal dusting corrosion. Building on a vast set of reactiv

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6993e41f38fe19bc09d653232dd5fb4b
https://hal.univ-lille.fr/hal-03367909

Solar Cell Materials by Design: Hybrid Pyroxene Corner‐Sharing VO4Tetrahedral Chains

Autor: Carlo Motta, Mohamed Madjet, Fahhad H. Alharbi, Stefano Sanvito, El Tayeb Bentria, Akinlolu Akande, Fedwa El-Mellouhi, Golibjon Berdiyorov, Sergey N. Rashkeev, Asma Marzouk, Sabre Kais

Publikováno v: ChemSusChem. 10:1931-1942

Hybrid organic-inorganic frameworks provide numerous combinations of materials with a wide range of structural and electronic properties, which enable their use in various applications. In recent years, some of these hybrid materials (especially lead

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::663b1bea3ebd241ba2b21ac6437dc510
https://doi.org/10.1002/cssc.201700121

Hydrogen Bonding and Stability of Hybrid Organic-Inorganic Perovskites

Autor: Fahhad H. Alharbi, Sabre Kais, Sergey N. Rashkeev, El Tayeb Bentria, Asma Marzouk, Fedwa El-Mellouhi

Publikováno v: ChemSusChem. 9:2648-2655

In the past few years, the efficiency of solar cells based on hybrid organic-inorganic perovskites has exceeded the level needed for commercialization. However, existing perovskites solar cells (PSCs) suffer from several intrinsic instabilities, whic

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::886d7a4a46f27e8161693368815b603e
https://doi.org/10.1002/cssc.201600864