Study on the Adsorption and Inhibition Mechanism of 1,2,4-Triazole on Copper Surface in Copper Interconnection CMP

2019 ◽  
Vol 8 (6) ◽  
pp. P313-P318 ◽  
Author(s):  
Qi Wang ◽  
Baimei Tan ◽  
Baohong Gao ◽  
Siyu Tian ◽  
Chunyu Han ◽  
...  
Keyword(s):  
Copper Surface ◽  
Inhibition Mechanism ◽  
Copper Interconnection

A novel method to protect bronze in atmospheric environment: the click-assembly of triazole film

2020 ◽  
Vol 67 (3) ◽  
pp. 295-304
Author(s):  
Hao Zhou ◽  
Kai Zhang ◽  
Lin Zhang ◽  
Jiamin Lu ◽  
Jin Li ◽  
...  
Keyword(s):  
Click Reaction ◽  
Copper Alloys ◽  
Copper Surface ◽  
Dynamics Simulation ◽  
Atmospheric Environment ◽  
Inhibition Mechanism ◽  
Protective Film ◽  
Chemical Calculation ◽  
Content Type ◽  
Environment Simulation

Purpose The authors have prepared the triazole film on copper surface by click reaction and explored its inhibition mechanism. Design/methodology/approach The protective film is assembled by immersing bronze in solution containing p-toluenesulfonyl azide (TA) and propiolic acid (PA). Findings Fourier transform infrared spectroscopy (FT-IR) indicates that triazole (TTP) film was formed on bronze surface via click chemistry reaction between TA and PA. It shows TTP film has a good protection for bronze in the atmospheric environment simulation solution. Quantum chemical calculation (QC) and molecule dynamics simulation suggests TTP molecule adsorbs on bronze surface via N and O. Originality/value This is beneficial to develop the corrosion inhibitors for the corroded copper alloys.

Adsorption Behavior of Thiadiazole as Corrosion Inhibitors on Copper Surface

2015 ◽  
Vol 817 ◽  
pp. 204-211 ◽  
Author(s):  
Sang Xiong ◽  
Jian Lin Sun ◽  
Yang Xu
Keyword(s):  
Molecular Dynamics ◽  
Corrosion Inhibition ◽  
Corrosion Inhibitors ◽  
Aqueous Media ◽  
Copper Surface ◽  
Adsorption Behavior ◽  
Inhibition Mechanism ◽  
Aqueous Environment ◽  
Quantum Chemistry Calculations ◽  
Fukui Indices

Adsorption behavior of four typical thiadiazole derivatives as corrosion inhibitors on copper surface both in vacuum and aqueous media, including 1,3,4-thiadiazole-2,5-mercapto (T-SH), (1,3,4-thiadiazole-2,5-diyl) bis (sulfanol) (T-OH), S,S'-(1,3,4-thiadiazole-2,5-diyl) bis (O-hydrogen carbonothioate) (T-COOH) and O,O'-dimethyl S,S'-(1,3,4-thiadiazole-2,5-diyl) bis (carbonothioate) (T-COOCH3), has been theoretically studied using quantum chemistry calculations and molecular dynamics simulations method, and the corrosion inhibition mechanism has been analyzed. The present conclusions have been experimentally verified by corrosion test. Global activity indices indicate that T-OH has the highest reaction activity among the four molecules both in vacuum and aqueous environment. The reaction activity of T-SH is little weaker than T-OH. For the two other molecules, Fukui indices suggest that T-COOCH3 possesses five electrophilic attack centers, which enable multi-center adsorption of the molecule on metal surfaces and thus it has a preferable corrosion inhibition performance compared to T-COOH in vacuum. However, T-COOH has the higher reaction activity in aqueous. At the same time, molecular dynamics results show that T-COOCH3 is more stably adsorbed on copper with surface (110) crystallographic plane than T-COOH does both in vacuum and aqueous environment when the interaction of the inhibitor molecules with four layers of copper atoms is considered. The theoretical results show that the efficiency of the four inhibitors accorded well with experimental results. The study of the questions of oxidation and discoloration of copper surface is to be provided a new method.

The Important Role of Oxidant in Copper Interconnection Chemical Mechanical Polishing for GLSI

2010 ◽  
Vol 663-665 ◽  
pp. 1111-1114 ◽  
Author(s):  
Xiao Yan Liu ◽  
Yu Ling Liu ◽  
Xin Huan Niu ◽  
Zhi Wen Zhao ◽  
Yi Hu
Keyword(s):  
Removal Rate ◽  
Chemical Mechanical Planarization ◽  
Copper Surface ◽  
Surface Topology ◽  
Passivation Film ◽  
Low Area ◽  
Mechanical Removal ◽  
Copper Interconnection ◽  
High Area

Chemical mechanical planarization (CMP) of copper interconnection in hydrogen peroxide (H2O2) as oxidizer based alkaline slurry was investigated. The new model is put forward, which is based on the characteristic of H2O2, chemical kinetics and mechanical removal. This properties of H2O2 can be effectively compensated the defect of surface topology during the process of polishing. Researcher previous study has shown that the surface is largely copper metal with Cu2O at low H2O2 concentrations and largely CuO at high H2O2 concentrations. Cu2O is more easily removed by both chemical and mechanical processes than CuO. During the CMP process, as the oxidizer concentration increases, the removal rate goes up initially followed by a gradual decay. This characteristic of oxidizer is used to achieve copper surface global planarity. The surface planarity was achieved by removing high area on the surface more quickly relative to the low area, because the concentration of Cu2O in the low area as the passivation film is more than the high area. Meanwhile the passivation film of the low area is thicker than the high area. In order to achieve polishing process optimization, the influence of pH adjustment and pressure, are also taken into consideration. Combining both RR and PE, the optimal H2O2 concentration and pressures are in range 1.0 ~1.5 vol% and 0.04 ~0.07 mpa, respectively. The roughness of surface which is measured by AFM is 0.49 after CMP.

Corrosion Inhibition and Adsorption Behavior of 4-((2-Thiophenecarboxylic Acid Hydrazide)methylene)benzoic Acid) on Copper Surface in CO2-Saturated Oilfield Water

2013 ◽  
Vol 537 ◽  
pp. 302-306
Author(s):  
Shi Liang Chen ◽  
Zheng Liu ◽  
Jie Liu
Keyword(s):  
Benzoic Acid ◽  
Adsorption Mechanism ◽  
Inhibition Efficiency ◽  
Electrochemical Techniques ◽  
Acid Hydrazide ◽  
Copper Surface ◽  
Adsorption Behavior ◽  
Inhibition Mechanism ◽  
Copper Corrosion ◽  
Oilfield Water

The inhibition effect and inhibition mechanism of a 4-((2-thiophenecarboxylic acid hydrazide)methylene)benzoic acid) (HD) against copper corrosion in CO2-saturated oilfield water was evaluated using electrochemical techniques and scanning electron microscopy. The experimental results shown that HD is a good corrosion inhibitor and the inhibition efficiency increased with the increase of HD concentration, and research indicate that adsorption behavior of the HD followed the langmuir’s adsorption isotherm and the adsorption mechanism is typical chemisorption.

On the Adsorption of Aspartate Derivatives to Calcite Surfaces in Aqueous Environment

2020 ◽  
Author(s):  
Robert Stepic ◽  
Lara Jurković ◽  
Ksenia Klementyeva ◽  
Marko Ukrainczyk ◽  
Matija Gredičak ◽  
...  
Keyword(s):  
Active Sites ◽  
Realistic Model ◽  
Binding Energies ◽  
Inhibition Mechanism ◽  
Aqueous Environment ◽  
Binding Modes ◽  
Carboxylate Groups ◽  
Dissolved Ions ◽  
Living Organisms ◽  
Dynamics Simulations

In many living organisms, biomolecules interact favorably with various surfaces of calcium carbonate. In this work, we have considered the interactions of aspartate (Asp) derivatives, as models of complex biomolecules, with calcite. Using kinetic growth experiments, we have investigated the inhibition of calcite growth by Asp, Asp2 and Asp3.This entailed the determination of a step-pinning growth regime as well as the evaluation of the adsorption constants and binding free energies for the three species to calcite crystals. These latter values are compared to free energy profiles obtained from fully atomistic molecular dynamics simulations. When using a flat (104) calcite surface in the models, the measured trend of binding energies is poorly reproduced. However, a more realistic model comprised of a surface with an island containing edges and corners, yields binding energies that compare very well with experiments. Surprisingly, we find that most binding modes involve the positively charged, ammonium group. Moreover, while attachment of the negatively charged carboxylate groups is also frequently observed, it is always balanced by the aqueous solvation of an equal or greater number of carboxylates. These effects are observed on all calcite features including edges and corners, the latter being associated with dominant affinities to Asp derivatives. As these features are also precisely the active sites for crystal growth, the experimental and theoretical results point strongly to a growth inhibition mechanism whereby these sites become blocked, preventing further attachment of dissolved ions and halting further growth.

Theoretical Studies of the Acid-Base Equilibria in a Model Active Site of the Human 20S Proteasome

2020 ◽  
Author(s):  
Jon Uranga ◽  
Lukas Hasecke ◽  
Jonny Proppe ◽  
Jan Fingerhut ◽  
Ricardo A. Mata
Keyword(s):  
Active Site ◽  
Boronic Acid ◽  
Computational Study ◽  
Ubiquitin Proteasome System ◽  
Bayesian Optimization ◽  
Inhibition Mechanism ◽  
20S Proteasome ◽  
Acid Base ◽  
Ubiquitin Proteasome ◽  
Infection Cycles

The 20S Proteasome is a macromolecule responsible for the chemical step in the ubiquitin-proteasome system of degrading unnecessary and unused proteins of the cell. It plays a central role both in the rapid growth of cancer cells as well as in viral infection cycles. Herein, we present a computational study of the acid-base equilibria in an active site of the human proteasome, an aspect which is often neglected despite the crucial role protons play in the catalysis. As example substrates, we take the inhibition by epoxy and boronic acid containing warheads. We have combined cluster quantum mechanical calculations, replica exchange molecular dynamics and Bayesian optimization of non-bonded potential terms in the inhibitors. In relation to the latter, we propose an easily scalable approach to the reevaluation of non-bonded potentials making use of QM/MM dynamics information. Our results show that coupled acid-base equilibria need to be considered when modeling the inhibition mechanism. The coupling between a neighboring lysine and the reacting threonine is not affected by the presence of the inhibitor.

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