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 …
Structure of small yttrium monoxide clusters, chemical bonding, and photoionization: threshold photoionization and density functional theory investigations
VV Deshpande, V Chauhan… - Physical Chemistry …, 2024 - pubs.rsc.org
The photoionization (PI) spectra of small gas-phase yttrium monoxide clusters, YnO (n= 1–
8), are investigated, and the adiabatic ionization energies are determined. The stable …
8), are investigated, and the adiabatic ionization energies are determined. The stable …
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 …
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 …
Experimental and quantum-chemical studies of electronic and spectral properties of titanium dioxide, modified with tin and lanthanum
OV Smirnova, AG Grebenyuk, VV Lobanov… - Applied …, 2023 - Springer
Experimental (scanning electron microscopy, transmission electron microscopy, Fourier-
transform infrared spectroscopy, UV-Vis diffuse reflectance spectroscopy, X-ray powder …
transform infrared spectroscopy, UV-Vis diffuse reflectance spectroscopy, X-ray powder …