The reformation of catalyst: From a trial-and-error synthesis to rational design
L Wang, J Wu, S Wang, H Liu, Y Wang, D Wang - Nano Research, 2024 - Springer
The appropriate catalysts can accelerate the reaction rate and effectively boost the efficient
conversion of various molecules, which is of great importance in the study of chemistry …
conversion of various molecules, which is of great importance in the study of chemistry …
Advances in sustainable catalysis: A computational perspective
The enormous challenge of moving our societies to a more sustainable future offers several
exciting opportunities for computational chemists. The first principles approach to “catalysis …
exciting opportunities for computational chemists. The first principles approach to “catalysis …
Mechanisms for hydrogen-atom abstraction by mononuclear copper (III) cores: Hydrogen-atom transfer or concerted proton-coupled electron transfer?
In a possibly biomimetic fashion, formally copper (III)–oxygen complexes LCu (III)–OH (1)
and LCu (III)–OOCm (2)(L2–= N, N′-bis (2, 6-diisopropylphenyl)-2, 6 …
and LCu (III)–OOCm (2)(L2–= N, N′-bis (2, 6-diisopropylphenyl)-2, 6 …
Catalytic Co‐Conversion of CH4 and CO2 Mediated by Rhodium–Titanium Oxide Anions RhTiO2−
Y Yang, YK Li, YX Zhao, GP Wei, Y Ren… - Angewandte Chemie …, 2021 - Wiley Online Library
Catalytic co‐conversion of methane with carbon dioxide to produce syngas (2 H2+ 2 CO)
involves complicated elementary steps and almost all the elementary reactions are …
involves complicated elementary steps and almost all the elementary reactions are …
Unusually High-Spin Fe12C12– Metallo-Carbohedrene Clusters
L Geng, T Sengupta, X Li, C Cui, S Lin… - Journal of the …, 2023 - ACS Publications
Ferromagnets constructed from nanometals of atomic precision are important for innovative
advances in information storage, energy conversion, and spintronic microdevices …
advances in information storage, energy conversion, and spintronic microdevices …
Complete cleavage of the N≡N triple bond by Ta2N+ via degenerate ligand exchange at ambient temperature: A perfect catalytic cycle
C Geng, J Li, T Weiske… - Proceedings of the …, 2019 - National Acad Sciences
An unprecedented, spontaneous, and complete cleavage of the triple bond of N2 in the
thermal reaction of 15N2 with Ta214N+ was observed experimentally by Fourier transform …
thermal reaction of 15N2 with Ta214N+ was observed experimentally by Fourier transform …
Beyond Shell-Filling: Strong Enhancement of Electron Affinity of Metal Clusters through a Noninvasive Oriented External Electric Field
LY Liu, J Li, SQ Liu, SH Du, MBA Siddique… - The Journal of …, 2024 - ACS Publications
Traditional electron counting rules, like the Jellium model, have long been successfully
utilized in designing superhalogens by modifying clusters to have one electron less than a …
utilized in designing superhalogens by modifying clusters to have one electron less than a …
Lithium incorporation assisted synthesis of ultra-small Mo2C nanodots as efficient photocatalytic H2 evolution cocatalysts
Photocatalytic H 2 production is a promising way utilizing solar energy to replace fossil fuels.
To develop highly efficient, earth-abundant, and low-cost cocatalysts to replace Pt is …
To develop highly efficient, earth-abundant, and low-cost cocatalysts to replace Pt is …
Methane borylation catalyzed by Ru, Rh, and Ir complexes in comparison with cyclohexane borylation: Theoretical understanding and prediction
RL Zhong, S Sakaki - Journal of the American Chemical Society, 2020 - ACS Publications
Methane borylation catalyzed by Cp* M (Bpin) n (M= Ru or Rh; HBpin= pinacolborane; n= 2
or 3) and (TMPhen) Ir (Bpin) 3 (TMPhen= 3, 4, 7, 8-tetramethyl-1, 10-phenanthroline) was …
or 3) and (TMPhen) Ir (Bpin) 3 (TMPhen= 3, 4, 7, 8-tetramethyl-1, 10-phenanthroline) was …
On the performance of the M–C (M= Fe, Ru, Os) unit toward methane activation
S Li, C Qian, XN Wu, S Zhou - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Gas-phase reactions of [MC]+(M= Os and Ru) with methane at ambient temperature have
been studied by using quadrupole-ion trap (Q-IT) mass spectrometry combined with …
been studied by using quadrupole-ion trap (Q-IT) mass spectrometry combined with …