Reactivity of different nitriding agents with chlorine-terminated surface during atomic layer deposition of silicon nitride

A metal–organic framework modulated to site-isolate Cl˙ pendants via radical inter-conversion for degrading hard-to-ionize aqueous organic wastes

“…These could be indexed to anionic Cl (Cl − SUP ) and neutral Cl (Cl SUP ) pendants bound to the BDC struts with ionic and covalent traits, respectively, whose assignment was based on literature studies aiming to immobilize Cl/Cl − species on graphene oxide, TiO 2 , CdTiO 3 , SiN, etc. [31][32][33]76 This could validate our claim that the modulated UiO-66-Cl contains defective Zr 4+ (LA) cations that can convert some of the Cl SUP pendants to Cl − SUP analogues for achieving bulk charge-neutrality of UiO-66-Cl, while enabling the overall cOH / Clc SUP route.…”

Selective etching mechanism of silicon oxide against silicon by hydrogen fluoride: a density functional theory study

“…Fig. 5 shows the energy diagrams and the changes in the atomistic structure of the third step in eqn (9). HF absorbed on the -SiF 2 terminated SiO 2 surface in R3 with an energy of À0.26 eV, similar to the second step.…”

“…The reaction was exothermic with an energy of À0.10 eV. It was more exothermic than the third step of eqn (9) because the BDE of Si-O (6.16 eV) is significantly lower than that of the third step (7.17 eV). Therefore, the fourth fluorination step was also expected to be energetically favorable.…”

“…Density functional theory (DFT) calculation is an excellent method for understanding the reactions of a chemical species with a solid surface. [7][8][9][10][11][12] The etching of SiO 2 by four HF molecules or HF/H 2 O mixture has been investigated by DFT using a small cluster model of Si 3 O 4 H 8 , which is extracted from Si 7 O 10 H 16 . 13,14 Hoshino et al calculated the activation energies for the etching of SiO 2 by HF, and the highest activation energy was 1.33 eV, which is relatively high for near-room temperature processes.…”

Investigation of the chemical vapor deposition of Cu from copper amidinate through data driven efficient CFD modelling

“…Extensive research in this field strives to improve deposition conformality, film uniformity and surface roughness and to relate these characteristics to the parameters of the process, namely the deposition temperature, the chamber pressure, the mass-flow rate and consistency of the reactive gas mixture. Research also focuses on new precursors (Mayangsari et al, 2021; Sharif and Ahmad, 2020; Nishikawa et al, 2020;Panzeri et al, 2019) in an effort to improve the throughput of the process and the quality of the deposited metal, while reducing energy consumption and the involvement of dangerous raw materials and by-products.…”