Characterizing metal carbide structures: Insights from photoelectron spectroscopy and density functional theory
M Ali, U Farooq, XL Xu, HG Xu, WJ Zheng - Coordination Chemistry …, 2025 - Elsevier
Metal carbides are highly intriguing to researchers due to their diverse properties, including
electrical, thermal, magnetic, and mechanical characteristics. They are prized for their high …
electrical, thermal, magnetic, and mechanical characteristics. They are prized for their high …
Reactivity of Neutral Tantalum Sulfide Clusters Ta3Sn (n = 0–4) with N2
GD Jiang, LH Mou, JJ Chen, ZY Li… - The Journal of Physical …, 2020 - ACS Publications
Nitrogen (N2) fixation is a challenging and vital issue in chemistry. Inspired by the fact that
the active sites of nitrogenases are polynuclear metal sulfide clusters, the reactivity of gas …
the active sites of nitrogenases are polynuclear metal sulfide clusters, the reactivity of gas …
Experimental and Theoretical Study of Neutral Al m C n and Al m C n H x Clusters
F Dong, S Heinbuch, Y Xie, JJ Rocca… - Physical Chemistry …, 2010 - pubs.rsc.org
Neutral AlmCn and AlmCnHx clusters are investigated both experimentally and theoretically
for the first time. Single photon ionization through 193, 118, and 46.9 nm lasers is used to …
for the first time. Single photon ionization through 193, 118, and 46.9 nm lasers is used to …
Reactivity of Tantalum Carbide Cluster Anions TaCn– (n = 1–4) with Dinitrogen
LH Mou, QY Liu, T Zhang, ZY Li… - The Journal of Physical …, 2018 - ACS Publications
Dinitrogen activation/fixation is one of the most important and challenging subjects in
synthetic as well as theoretical chemistry. In this study, the adsorption reactions of N2 onto …
synthetic as well as theoretical chemistry. In this study, the adsorption reactions of N2 onto …
Velocity correlated emission of secondary clusters by a single surface impact of a polyatomic ion: a new mechanism of cluster emission and subpicosecond probing of …
E Armon, A Bekkerman, V Bernstein… - Physical Chemistry …, 2022 - pubs.rsc.org
Emission of secondary clusters off clean solid surfaces following the impact of a projectile
ion at kiloelectronvolt (keV) kinetic energies is important from both practical and fundamental …
ion at kiloelectronvolt (keV) kinetic energies is important from both practical and fundamental …
Photodissociation of noble metal-doped carbon clusters
BW Ticknor, B Bandyopadhyay… - The Journal of Physical …, 2008 - ACS Publications
Noble metal carbide cluster cations (MC n+, M= Cu, Au) are produced by laser vaporization
in a pulsed molecular beam and detected with time-of-flight mass spectrometry. Copper …
in a pulsed molecular beam and detected with time-of-flight mass spectrometry. Copper …
On the electronic structure and chemical bonding in the tantalum trimer cluster
B Wang, HJ Zhai, X Huang… - The Journal of Physical …, 2008 - ACS Publications
The electronic structure and chemical bonding in the Ta3− cluster are investigated using
photoelectron spectroscopy and density functional theory calculations. Photoelectron …
photoelectron spectroscopy and density functional theory calculations. Photoelectron …
Structural and bonding properties of Ta2Cn−/0 (n= 1–7) clusters: Size-selected anion photoelectron spectroscopy and theoretical calculations
CJ Zhang, HG Xu, XL Xu, WJ Zheng - The Journal of Chemical Physics, 2024 - pubs.aip.org
The structures and chemical bond evolution of ditantalum doped carbon clusters Ta 2 C n−/0
(n= 1–7) were studied via size-selected anion photoelectron spectroscopy and theoretical …
(n= 1–7) were studied via size-selected anion photoelectron spectroscopy and theoretical …
Unusual bonding in platinum carbido clusters
DJ Harding, C Kerpal, G Meijer… - The Journal of Physical …, 2013 - ACS Publications
Vibrational spectroscopy and density functional theory calculations are used to determine
the structures of small gas-phase platinum carbido clusters Pt n C+, n= 3–5. The carbon …
the structures of small gas-phase platinum carbido clusters Pt n C+, n= 3–5. The carbon …
High throughput computational screening of tantalum based small metal clusters for nitrogen fixation
VSK Choutipalli, SSA Venkataramanan… - Inorganica Chimica …, 2022 - Elsevier
Production of nitrogen-based feedstock, in particular ammonia, has received increased
attention due to its potential use in several chemical processes. Hence, development of …
attention due to its potential use in several chemical processes. Hence, development of …