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Full-Text Articles in Chemistry

Voltammetry And Spectroelectrochemistry Of Tcnq In Acetonitrile/Rtil Mixtures, Abderrahman Atifi, Michael D. Ryan Jan 2020

Voltammetry And Spectroelectrochemistry Of Tcnq In Acetonitrile/Rtil Mixtures, Abderrahman Atifi, Michael D. Ryan

Chemistry Faculty Research and Publications

Understanding the solvation and ion-pairing interactions of anionic substrates in room-temperature ionic liquids (RTIL) is key for the electrochemical applications of these new classes of solvents. In this work, cyclic voltammetry and visible and infrared spectroelectrochemistry of tetracyanoquinodimethane (TCNQ) was examined in molecular (acetonitrile) and RTIL solvents, as well as mixtures of these solvents. The overall results were consistent with the formation of RTIL/acetonitrile nanodomains. The voltammetry indicated that the first electrogenerated product, TCNQ, was not incorporated into the RTIL nanodomain, while the second electrogenerated product, TCNQ2−, was strongly attracted to the RTIL nanodomain. The visible …


Dynamic Evolution And Reversibility Of Single-Atom Ni(Ii) Active Site In 1t-Mos2 Electrocatalysts For Hydrogen Evolution, Brian Pattengale, Yichao Huang, Xingxu Yan, Sizhou Yang, Sabrina Younan, Wenhui Hu, Zhida Li, Sungsik Lee, Xiaoping Pan, Jing Gu, Jier Huang Jan 2020

Dynamic Evolution And Reversibility Of Single-Atom Ni(Ii) Active Site In 1t-Mos2 Electrocatalysts For Hydrogen Evolution, Brian Pattengale, Yichao Huang, Xingxu Yan, Sizhou Yang, Sabrina Younan, Wenhui Hu, Zhida Li, Sungsik Lee, Xiaoping Pan, Jing Gu, Jier Huang

Chemistry Faculty Research and Publications

1T-MoS2 and single-atom modified analogues represent a highly promising class of low-cost catalysts for hydrogen evolution reaction (HER). However, the role of single atoms, either as active species or promoters, remains vague despite its essentiality toward more efficient HER. In this work, we report the unambiguous identification of Ni single atom as key active sites in the basal plane of 1T-MoS2 (Ni@1T-MoS2) that result in efficient HER performance. The intermediate structure of this Ni active site under catalytic conditions was captured by in situ X-ray absorption spectroscopy, where a reversible metallic Ni species (Ni0) …


Enhanced Light Harvesting Ability In Zeolitic Imidazolate Frameworks Through Energy Transfer From Cds Nanowires, Yixuan Zhou, Wenhui Hu, Sizhuo Yang, Jier Huang Jan 2020

Enhanced Light Harvesting Ability In Zeolitic Imidazolate Frameworks Through Energy Transfer From Cds Nanowires, Yixuan Zhou, Wenhui Hu, Sizhuo Yang, Jier Huang

Chemistry Faculty Research and Publications

Zeolitic imidazolate frameworks (ZIFs) represent a novel class of porous crystalline materials that have demonstrated potential as light harvesting materials for solar energy conversion. In order to facilitate their application in solar energy conversion, it is necessary to expand their absorption further into the realm of the solar spectrum. In this work, we report the incorporation of semiconductor cadmium sulfide nanowires (CdS NWs) into ZIF-67 (CdS@ZIF-67), where a broader region of the solar spectrum can be absorbed by CdS NWs and relayed to ZIF-67 through an energy transfer (EnT) process. Using steady-state emission and time resolved emission and absorption spectroscopy, …


Influence Of The Coriolis Effect On The Properties Of Scattering Resonances In Symmetric And Asymmetric Isotopomers Of Ozone, Igor Gayday, Elizaveta Grushnikova, Dmitri Babikov Jan 2020

Influence Of The Coriolis Effect On The Properties Of Scattering Resonances In Symmetric And Asymmetric Isotopomers Of Ozone, Igor Gayday, Elizaveta Grushnikova, Dmitri Babikov

Chemistry Faculty Research and Publications

Scattering resonances above dissociation threshold are computed for four isotopically substituted ozone species: 16O18O16O, 16O16O18O, 18O16O18O and 16O18O18O, using a variational method with accurate treatment of the rotation–vibration coupling terms (Coriolis effect) for all values of the total angular momentum J from 0 to 4. To make these calculations numerically affordable, a new approach was developed which employs one vibrational basis set optimized for a typical rotational excitation (J,Λ), to run coupled rotation–vibration calculations at several …