Hybrid-DFT molecular dynamics simulations of photocatalytic water oxidation in a [Ru-bda]–dye complex

Author(s):: Haas, T. de; Calvani, D.; Zaaruolo, A.; Jong, T. de; Rutgers, J.; Kreupeling, B.; Groot, H.J.M. de; Buda, F. (0000-0002-7157-7654)

Published: 2024
Publication type: Article / Letter to editor

Date issued: 2024-11-14
Language: English
Publisher: American Chemical Society (ACS)
Is part of: The Journal of Physical Chemistry Part C (2024), Vol. 128, no. 47, p. 20093-20103
hdl: 1887/4175463
doi: 10.1021/acs.jpcc.4c05104
URL: https://pubs.acs.org/doi/10.1021/acs.jpcc.4c05104