Introducing catalysis in photocatalysis: what can be understood from surface science studies of alcohol photoreforming on TiO2

CA Walenta, M Tschurl, U Heiz - Journal of Physics: Condensed …, 2019 - iopscience.iop.org
Mechanisms in heterogeneous photocatalysis have traditionally been interpreted by the
band-structure model and analogously to electrochemistry. This has led to the establishment …

Oxidative decomposition of dimethyl methylphosphonate on rutile TiO 2 (110): the role of oxygen vacancies

C Tesvara, C Walenta, P Sautet - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
The decomposition of dimethyl methylphosphonate (DMMP,(CH3O) 2P (O)(CH3)), a
simulant to the toxic nerve agent Sarin, on the rutile TiO2 (110) surface has been studied …

Regulating Photochemical Selectivity with Temperature: Isobutanol on TiO2(110)

C Courtois, CA Walenta, M Tschurl… - Journal of the …, 2020 - ACS Publications
Selective photocatalytic transformations of chemicals derived from biomass, such as
isobutanol, have been long envisioned for a sustainable chemical production. A strong …

Facile Decomposition of Organophosphonates by Dual Lewis Sites on a Fe3O4(111) Film

CA Walenta, F Xu, C Tesvara… - The Journal of …, 2020 - ACS Publications
Dimethyl methylphosphonate (DMMP) is used as a simulant for toxic nerve agents and
pesticides, rendering the understanding of surface chemistry requisite to design effective …

[HTML][HTML] Dual Lewis site creation for activation of methanol on Fe 3 O 4 (111) thin films

F Xu, W Chen, CA Walenta, CR O'Connor… - Chemical Science, 2020 - pubs.rsc.org
Despite a wide application in heterogeneous catalysis, the surface termination of Fe3O4
(111) remains controversial. Herein, a surface with both Lewis acid and base sites is created …

[图书][B] Modeling the reactivity of chemical warfare agents on metal oxides using computational chemistry methods

C Tesvara - 2021 - search.proquest.com
To design efficient personal protective equipment against chemical warfare agents, there is
a need to understand the fundamental pathway of decomposition of these chemicals on …