Small atomic clusters: quantum chemical research of isomeric composition and physical properties

AS Sharipov, BI Loukhovitski - Structural Chemistry, 2019 - Springer
In this review, we give a brief summary of methodological and computational aspects of
determination of structure and different size-dependent properties of small atomic clusters by …

Bottom-up dust nucleation theory in oxygen-rich evolved stars-I. Aluminium oxide clusters

D Gobrecht, JMC Plane, ST Bromley, L Decin… - Astronomy & …, 2022 - aanda.org
Context. Aluminium oxide (alumina; Al 2 O 3) is a promising candidate as a primary dust
condensate in the atmospheres of oxygen-rich evolved stars. Therefore, alumina …

Role of imperfect coordination of amorphous metal oxide in its chemical reaction with epoxy resin in metal− polymer hybrid material

S Li, J Lin, H Wan, J Min - Applied Surface Science, 2023 - Elsevier
The chemical bonding between laser− induced metal oxide and polymer highly determines
the interfacial bonding performance of metal− polymer hybrid materials. To achieve reliable …

Multiscale CFD modeling of area-selective atomic layer deposition: Application to reactor design and operating condition calculation

S Yun, H Wang, M Tom, F Ou, G Orkoulas… - Coatings, 2023 - mdpi.com
Area-selective atomic layer deposition (ASALD) as a bottom-up nanopatterning technique
has gained recognition for its ability to address misalignment issues in semiconductor …

Modeling and experimental study on the thermal decomposition of perfluorooctanesulfonic acid (PFOS) in an α-alumina reactor

NH Weber, CS Delva, SP Stockenhuber… - Industrial & …, 2022 - ACS Publications
Pyrolysis of perfluorooctanesulfonic acid (PFOS)(200–450 PPMV) was studied in an α-
alumina flow reactor under plug flow conditions at temperatures from 450 to 1000° C and …

Enhanced performances of a-IGZO TFTs with oxide passivation layers fabricated by hollow cathode assisted PLD

C Wang, C Zeng, H Ning, F Li, M Liu, K Xu… - Journal of Alloys and …, 2023 - Elsevier
Pulsed laser deposition (PLD) and two-step thermal annealing are combined to fabricate
MgO, TiO 2, Y 2 O 3, Al 2 O 3, ZrO 2 and HfO 2 passivation layers on a-IGZO TFTs. The …

New Cap-Holed AlP, GaP, and InP Nanotubes

R Mendoza-Báez, D García-Toral, JF Rivas-Silva… - ACS …, 2024 - ACS Publications
The structural, vibrational, and electronic properties of new inorganic X-phosphide
nanotubes (ch-XPNT), with X= Al, Ga, or In and chirality of (5, 5), are investigated. These …

[HTML][HTML] Thermal atomic layer etching of amorphous and crystalline Al2O3 films

JA Murdzek, A Rajashekhar, RS Makala… - Journal of Vacuum …, 2021 - pubs.aip.org
Thermal atomic layer etching (ALE) can be achieved with sequential, self-limiting surface
reactions. One mechanism for thermal ALE is based on fluorination and ligand-exchange …

Density-functional global optimization of (La2O3) n clusters

XL Ding, ZY Li, JH Meng, YX Zhao… - The Journal of Chemical …, 2012 - pubs.aip.org
Structures of stoichiometric (La 2 O 3) n (n= 1–6) clusters have been systematically studied
by theoretical calculations. Global minimum structures for these clusters are determined by …

Boosting the ORR kinetics of protonic ceramic fuel cells via surface decoration using nonreactive insulators

B Qiu, K Zhu, Y Yang, L Ye, L Zhang, C Xia… - Journal of Materials …, 2024 - pubs.rsc.org
As a promising energy conversion device, protonic ceramic fuel cells (PCFCs) are highly
efficient, with negligible environmental impact and low cost, yet they are mainly restricted by …