Outputs (3)

N-doping enabled defect-engineering of MoS2 for enhanced and selective adsorption of CO2: A DFT approach (2020)
Journal Article
Enujekwu, F. M., Zhang, Y., Ezeh, C. I., Zhao, H., Xu, M., Besley, E., George, M. W., Besley, N. A., Do, H., & Wu, T. (2021). N-doping enabled defect-engineering of MoS2 for enhanced and selective adsorption of CO2: A DFT approach. Applied Surface Science, 542, Article 148556. https://doi.org/10.1016/j.apsusc.2020.148556

A density functional theory study was conducted to analyze CO2 adsorption on defective and non-defective MoS2 surfaces with or without nitrogen doping. The MoS2_1VS and MoS2_1VMo_3NS were found exhibiting outstanding adsorption activity and stability... Read More about N-doping enabled defect-engineering of MoS2 for enhanced and selective adsorption of CO2: A DFT approach.

Rational Design of Triplet Sensitizers for the Transfer of Excited State Photochemistry from UV to Visible (2020)
Journal Article
Elliott, L. D., Kayal, S., George, M. W., & Booker-Milburn, K. (2020). Rational Design of Triplet Sensitizers for the Transfer of Excited State Photochemistry from UV to Visible. Journal of the American Chemical Society, 142(35), 14947-14956. https://doi.org/10.1021/jacs.0c05069

Time Dependent Density Functional Theory has been used to assist the design and synthesis of a series thioxanthone triplet sensitizers. Calculated energies of the triplet excited state (ET) informed both the type and position of auxochromes placed on... Read More about Rational Design of Triplet Sensitizers for the Transfer of Excited State Photochemistry from UV to Visible.

Scalable Continuous Vortex Reactor for Gram to Kilo Scale for UV and Visible Photochemistry (2020)
Journal Article
Lee, D. S., Sharabi, M., Jefferson-Loveday, R., Pickering, S. J., Poliakoff, M., & George, M. W. (2020). Scalable Continuous Vortex Reactor for Gram to Kilo Scale for UV and Visible Photochemistry. Organic Process Research and Development, 24(2), 201-206. https://doi.org/10.1021/acs.oprd.9b00475

© 2020 American Chemical Society. We report the development of a scalable continuous Taylor vortex reactor for both UV and visible photochemistry. This builds on our recent report (Org. Process Res. Dev. 2017, 21, 1042) detailing a new approach to co... Read More about Scalable Continuous Vortex Reactor for Gram to Kilo Scale for UV and Visible Photochemistry.