Bioinspired Polyoxo-titanium Cluster for Greatly Enhanced Solar-Driven CO2 Reduction

X Wu, QH Li, S Zuo, Y Li, X Yi, LB Yuan, L Zheng… - Nano Letters, 2023 - ACS Publications
Develo** artificial enzymes with excellent catalytic activities and uncovering the structural
and chemical determinants remain a grand challenge. Discrete titanium-oxo clusters with …

[HTML][HTML] Observation of do**-induced spin–orbit coupling in gold cluster assembly to carrier-tuneable semiconductors and Schottky behaviors

PP Dash, A Kabiraj, G Mallik, P Kumari… - Journal of Applied …, 2024 - pubs.aip.org
The do** influenced carrier dynamics to maneuvering n-type to p-type semiconducting
gold cluster assembly have been assessed. The resonance photoemission spectroscopic …

[PDF][PDF] Multireference Perturbation Theory Assessment of Electronic structure, and Reactivity for Iron-Doped Gold Clusters

AK Almansori, FS Abd-Suhail - Journal of Kufa for Chemical Sciences, 2023 - iasj.net
Do** a gold cluster with a transition metal atom allows the structural diversity of gold
clusters to be combined with the distinctive features of high-spin systems. SMMs (single …

A Brief Review of Density Functional Theory and Solvation Model

AK Kushwaha - 2022 - chemrxiv.org
In recent years, the applications of first-principles density functional theory (DFT) is
diversified and expanded in a wide range due to the development of robust algorithms and …