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ASP Online Seminars: Water and alcohol oxidation on transition metal oxide surfaces—insights from first principles calculations

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Description

Abstract:

The abundance of water at ambient conditions and its participation in important technological processes have made the study of its interfacial properties a topic of pivotal importance. Oxides being the most common surfaces substrates in nature, their interaction with water hence plays an important role many domains of technological relevance . Among the oxides, ZnO TiO2 and Co3O4 substrates have captured great attention due to their large range of applications. These include gas sensors, catalysts and catalyst support in heterogeneous catalysis including photo-catalysis, atmospheric corrosion, cosmetics and solar cells... For rational design and improvement of the performance of these substrates, the ability to control their properties as a function of environmental conditions is essential. For this purpose, we have performed these recent years a series of theoretical investigations in which DFT calculations, ab initio thermodynamics, molecular dynamics simulations and excited states calculations were combined to address the geometry, dynamics, electronic structure, binding mechanisms, chemical reactivity, (photo)catalytic and optical properties of the interface between water and these oxides.
Organized by

IOC
Dr. Stéphane Kenmoe

Participants
  • Abdelaali Fargi
  • Abdelkrim ZEGHARI
  • Abdourahmane DIALLO
  • Abebaw Abun Amanu
  • Adama FALL
  • Adewuyi Àbdulwaheed Rafiu
  • AFO Abdoul-Azizou Aziraf
  • Aluwani Guga
  • Ana Silva
  • Babou DIOP
  • Berthelot Said Duvalier Ramlina Vamhindi
  • Béchir DRIDI REZGUI
  • Charles Ndegwa
  • Charlotte Achoundong
  • Chioma Okany
  • Darole Masevosi
  • DETIO JESSIE ORNELLA
  • Evance Obara
  • FAICAL BARZI
  • Felix Hamann
  • FENDZI DONFACK Emmanuel
  • FOBASSO MBOGNOU Florette
  • Gaspard Freidy Olinga Mbala
  • Getahun Nigus
  • Herman White
  • Ignatius Barasa
  • JAMAL MABROUKI
  • Jean Baptiste FANKAM FANKAM
  • jephter ondieki
  • Katawoura Beltako
  • Kayode DADA
  • Ketevi Adikle Assamagan
  • Khaled Ben Messaoud
  • Kingsley Kalonda
  • Kokou Mawulonmi Robert AFANSOUNOUDJI
  • kokou mawussé hennoc ADAWOSSO
  • Komlan Segbéya GADEDJISSO-TOSSOU
  • KOTOKO KOUDZO JACQUES
  • Kunsa Habura
  • Kévin NDANG AMASSA
  • Lakhdar Sek
  • Manza Zityab
  • Manza Zityab
  • Marie Rose YOUBI KEMMOGNE
  • Michael Dada
  • Milohum Mikesokpo DZAGLI
  • MOHSIN RASHEED
  • Mounia Tahri
  • Musa Titus Sesay
  • Nancy Julianna TOVOLAHY
  • Nonofo Mogopodi
  • Oumar Ndiaye
  • Patrick Mountapmbeme Kouotou
  • Russel Rolphe Caroll MOUBAKOU DIAHOU
  • Safae Tariq
  • Samuel Odumu John Ogana
  • Samuel Tetteh
  • Sandile Kumalo
  • Serge Guy Nana Engo
  • Somiealo Azote
  • Souleymane THIAM
  • Stephane Kenmoe
  • Tintcheu Nkwamou Michael
  • Touhami Ichrak
  • Valence Habyarimana
Videoconference
Zoom Meeting ID
92372698210
Host
Ketevi Adikle Assamagan
Alternative host
Steve Muanza
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