Chemistry and physics of dopants embedded in helium droplets
Helium droplets represent a cold inert matrix, free of walls with outstanding properties to
grow complexes and clusters at conditions that are perfect to simulate cold and dense …
grow complexes and clusters at conditions that are perfect to simulate cold and dense …
Threshold Photoionization and Density Functional Theory Investigations of Small Lanthanum Monoxide Clusters, LanO (n = 2–10)
S Bhattacharyya, VV Deshpande - The Journal of Physical …, 2023 - ACS Publications
Small lanthanum monoxide clusters, La n O (n= 2–10), have been studied by laser threshold
photoionization (PI) spectroscopy and density functional theory (DFT). Ionization energies …
photoionization (PI) spectroscopy and density functional theory (DFT). Ionization energies …
Electronic states and transitions of PrO and PrO+ probed by threshold ionization spectroscopy and spin–orbit multiconfiguration perturbation theory
The precise ionization energy of praseodymium oxide (PrO) seeded in supersonic molecular
beams is measured with mass-analyzed threshold ionization (MATI) spectroscopy. A total of …
beams is measured with mass-analyzed threshold ionization (MATI) spectroscopy. A total of …
Binding Strengths and Orientations in CO2 Adsorption on Cationic Scandium Oxides: Governing Factor Revealed by a Combined Infrared Spectroscopy and …
P Liu, J Han, Y Chen, H Yu, X Zhou… - The Journal of Physical …, 2024 - ACS Publications
Carbon dioxide (CO2) adsorption is a critical step to curbing carbon emissions from fossil
fuel combustion. Among various options, transition metal oxides have received extensive …
fuel combustion. Among various options, transition metal oxides have received extensive …
Lanthanide oxides: From diatomics to high-spin, strongly correlated homo-and heterometallic clusters
C Huizenga, HP Hratchian… - The Journal of Physical …, 2021 - ACS Publications
Small lanthanide (Ln) oxide clusters present both experimental and theoretical challenges
because of their partially filled, core-like 4f n orbitals, a feature that results in a plethora of …
because of their partially filled, core-like 4f n orbitals, a feature that results in a plethora of …
A DFT study of (La2O3)n clusters and effect of Ba, Y and Hf doping for their optoelectronic applications
S Kashyap, K Batra - Molecular Physics, 2024 - Taylor & Francis
(La 2 O 3) n (n= 1-5) clusters have been computationally studied using DFT and TDDFT with
B3LYP functional under hybrid GGA approximation and LANL2DZ basis set. The doping …
B3LYP functional under hybrid GGA approximation and LANL2DZ basis set. The doping …
Threshold ionization, structural isomers, and electronic states of M2O2 (M= Sc, Y, and La)
L Wu, C Zhang, SA Krasnokutski… - The Journal of Chemical …, 2014 - pubs.aip.org
M 2 O 2 (M= Sc, Y, and La) were synthesized in a pulsed laser-vaporization molecular beam
source and studied by mass-analyzed threshold ionization (MATI) spectroscopy and ab initio …
source and studied by mass-analyzed threshold ionization (MATI) spectroscopy and ab initio …
Ionization Energies and Ground-State Structures of Neutral Lan (n = 2–14) Clusters: A Combined Experimental and Theoretical Investigation
S Bhattacharyya, D Bandyopadhyay… - The Journal of …, 2022 - ACS Publications
Neutral lanthanum clusters are studied by photoionization time-of-flight mass spectroscopy,
laser threshold photoionization spectroscopy, and density functional theory (DFT). Mass …
laser threshold photoionization spectroscopy, and density functional theory (DFT). Mass …
High-resolution electron spectroscopy of lanthanide (Ce, Pr, and Nd) complexes of cyclooctatetraene: The role of 4f electrons
S Kumari, M Roudjane, D Hewage, Y Liu… - The Journal of Chemical …, 2013 - pubs.aip.org
Cerium, praseodymium, and neodymium complexes of 1, 3, 5, 7-cyclooctatetraene (COT)
complexes were produced in a laser-vaporization metal cluster source and studied by …
complexes were produced in a laser-vaporization metal cluster source and studied by …
Ionization energies and structures of small lanthanum oxide clusters (La2O3)n.LaO (n = 1–3)
Small lanthanum oxide clusters were produced in a laser-ablation molecular beam setup
and studied by mass spectrometry and laser threshold photoionization spectroscopy. Mass …
and studied by mass spectrometry and laser threshold photoionization spectroscopy. Mass …