Cobalt Surface Research Articles

Complexing agents for potassium oleate removal after cobalt chemical-mechanical polishing: Prediction, verification and mechanism

A systematic approach for predicting the capability of malic acid (MA), tartaric acid (TA), and citric acid (CA), as carboxylic complexing agents, to remove potassium oleate (PO) in the cleaning of cobalt (Co) film after chemical mechanical polishing was investigated. Several quantum-molecular descriptors (frontier orbital energies, energy gap, and dipole moment) were calculated to establish the relationship between descriptors and the effectiveness of complexing agents. Further, the diffusion simulation was carried out in the aqueous phase model, and the detailed adsorption analysis of the three carboxylic complexing agents on Co(111) surface was performed to reveal the behavior of complexing agents on the passive film and the variation of the adsorption state of PO. The prediction was verified by characterization techniques, including contact angle, potentiodynamic polarization and atomic force microscopy measurements. Results show that the calculated chemical descriptors and molecular dynamics simulations successfully predict the removal efficiency of the cleaning experiment, i.e., MA has the strongest removal ability of PO adsorbed on cobalt surface. As well, the appropriate concentrations of the three complexing agents were optimized: MA was 0.1 wt%, TA was 0.1 wt% and CA was 0.075 wt%. The cleaning mechanism of MA was elucidated by X-ray photo-electron spectroscopy, density functional theory, and charge density difference: MA could break bonds between PO and Co surface via the ligand-exchange mechanism or etch the cobalt surface to promote the desorption of PO. This work makes a major contribution to estimating the effectiveness of complexing agents and exploring the removal mechanism of organic residue.

Influence of the Cobalt Active Site Neighbours in NiCo Nanocatalysts for Phosphine‐Assisted Silane Activation

AbstractNiCo nanoparticles are active catalysts for a number of reactions, as an interesting alternative to noble metals. In particular, phosphine‐covered NiCo nanoparticles with a 1 : 1 metal ratio were found to be active at room temperature for Si−H bond activation. However, it was unclear which of the two metals was the active site and if the neighbouring atoms influenced the reaction efficiency. We designed nanoparticles with a nickel core and a limited amount of cobalt surface sites, just below or just above a monolayer amount, to investigate this question. We showed that the trend in catalytic activity is consistent with cobalt being the active site, and it shows a higher activity when its immediate neighbours are cobalt atoms. This was consistently observed with two phosphine ligands, PPh3 and PnBu3, while the first allowed a higher conversion rate than the second.

Thermal atomic layer etching of cobalt using sulfuryl chloride for chlorination and tetramethylethylenediamine or trimethylphosphine for ligand addition

Thermal atomic layer etching (ALE) of cobalt was developed using sulfuryl chloride (SO2Cl2) for chlorination and either tetramethylethylenediamine (TMEDA) or trimethylphosphine (PMe3) for ligand addition. In situ quartz crystal microbalance (QCM) measurements were used to monitor the thermal ALE of cobalt using the SO2Cl2/TMEDA and SO2Cl2/PMe3 processes. For every SO2Cl2 exposure, there was a mass gain during chlorination. For every TMEDA or PMe3 exposure, there was a mass loss during ligand addition. The result was a net removal of cobalt during each chlorination/ligand-addition reaction cycle. Average etch rates determined from QCM measurements for the SO2Cl2/TMEDA process at 175, 200, 225, 250, 275, and 300 °C were 0.62 ± 0.41, 1.35 ± 0.64, 2.31 ± 0.91, 6.43 ± 1.31, 10.56 ± 2.94, and 7.62 ± 4.87 Å/cycle, respectively. These etch rates were corroborated using x-ray reflectivity (XRR) studies on cobalt thin films on silicon coupons. Quadrupole mass spectroscopy analysis also revealed that the cobalt etch product from TMEDA exposures on CoCl2 powder was CoCl2(TMEDA). The SO2Cl2/TMEDA process could remove the surface chloride layer formed by each SO2Cl2 exposure with one TMEDA exposure. In contrast, the SO2Cl2/PMe3 process required 20–40 individual PMe3 exposures to remove the surface chloride layer formed from each SO2Cl2 exposure at 130–200 °C. An increasing number of PMe3 exposures were needed as the temperature decreased below 130 °C. The etch rates for the SO2Cl2/PMe3 process with multiple PMe3 exposures were 2–4 Å/cycle as determined by the QCM and XRR studies. For both the SO2Cl2/TMEDA and SO2Cl2/PMe3 processes, the etch rate was determined by the amount of CoCl2 created during the SO2Cl2 exposure. Thicker surface CoCl2 layers from larger SO2Cl2 exposures resulted in higher Co etch rates that could exceed one crystalline unit cell length. Atomic force microscopy measurements determined that the cobalt surface roughness decreased after Co ALE with the SO2Cl2/TMEDA process. In contrast, the cobalt surface roughness increased after Co ALE with the SO2Cl2/PMe3 process. The chlorination and ligand-addition mechanism should be generally applicable for metal ALE for metals that form stable chlorides.

Similarities and trends in adsorbate induced reconstruction – Structure and stability of FCC iron and cobalt surface carbides

Thin FCC (100) iron and cobalt carbide films were prepared on Cu(100) to study the connection between their structure, electronic properties and stability. We present the first detailed, real space experimental confirmation of the C-induced clock reconstruction on the FCC(100) surfaces of iron and cobalt. Both Fe and Co surface carbides show p4g (2 × 2) surface reconstruction with tetracoordinated square planar carbon and pure FCC (100) metal layers underneath. Combining tip-sample distance dependent STM imaging with theoretical calculations we present different imaging modes of Fe2C. Using a combination of angle-resolved x-ray photoelectron spectroscopy (AR-XPS), Auger electron spectroscopy (AES), low energy electron diffraction (LEED), scanning tunneling microscopy (STM), and theoretical calculations we provide detailed electronic and structural models for Fe2C and Co2C p4g (2 × 2) surface carbides and other 2D Fe2X interstitial compound systems. In various Fe2X (X = B, C, N, O) surface compounds moving to the right in the periodic table with increasing electrons the reconstruction becomes less favorable, while iron carbide shows the highest stability.

Interface engineering and heterometal doping Co–Mo/FeS for oxygen evolution reaction

The sluggish kinetics of the oxygen evolution reaction (OER) limits the development of water electrolysis technology and the long-term efficiency of hydrogen energy production. In addition, it is important to evaluate the reconstruction performance of OER catalysts for actual water electrolysis. We created a self-supported electrode with FeS film coated Fe foam as a substrate, ordered resoluble molybdate (MoO42−) anions in interlayers, and Co-doped as a catalytically active phase for the OER. The catalyst is capable of electrochemical self-reconstruction (ECSR). With the dissolution of molybdate and sulfur ions, the catalyst surface cobalt iron oxide (CoFe2O4) forms an active amorphous FeCoOOH, which is favorable for alkaline OER. We realized the introduction of new active sites in the catalyst reconstruction process. Finally, the composite CoFeOx catalyst increased the specific surface area, promoted bubble transport, and enhanced electron mass transfer. The synergistic coupling effect of the catalyst makes it have excellent OER activity and stability. Remarkably, Co–Mo/FeS nanosheets afforded an electrocatalytic OER with a current density of 100 mA cm−2 at a low overpotential of 321 mV. These discoveries open up new opportunities for the application of doping and template-directed surface reconfiguration, which holds promise as an effective electrocatalyst for the OER.

Dynamic hydrogen bubble template electrodeposition of Ru on amorphous Co support for electrochemical hydrogen evolution

Electrolyzing water is an environmentally friendly and renewable way to obtain high purity hydrogen. Ruthenium has strong water dissociation ability and suitable hydrogen adsorption energy, so it is considered as one of the candidates of excellent electrocatalysts for hydrogen evolution in alkaline solution. The dynamic hydrogen bubble template (DHBT) is a good electrodeposition technology, which can obtain the 3D metal foams. However, as far as we know, there is no report on the preparation of Ru electrocatalyst by the DBHT method. In this work, the trumpet-shaped Ru on amorphous cobalt support (T-Ru/a-Co) is prepared by the DHBT electrodeposition for the first time. The defect locations are uniformly distributed on the surface of amorphous cobalt (a-Co), which can effectively lead to the formation of nano-bubble template in the DHBT process. However, this special morphology cannot be obtained on the surface of crystalline Co (c-Co). In addition, the electronic structure of T-Ru/a-Co has also been obviously modified, in which the proportion of Ru4+/Ru0 in T-Ru/a-Co has increased, accompanied by the change of binding energy of Ru. It only needs an overpotential of 49 mV to obtain a current density of 10 mA cm−2 for the T-Ru/a-Co. The specific activity (SA), turnover frequency (TOF) and mass activity (MA) of T-Ru/a-Co are 0.23 mA cm−2, 0.48 s−1 and 0.24 A mg−1, which are both higher than those of Pt/C, the disk-shaped Ru on the c-Co support (D-Ru/c-Co) and Ru/C, respectively.

Probing the Local Environment of Active Sites during 2-Propanol Oxidation to Acetone on the Co3O4 (001) Surface: Insights from First-Principles O K-Edge XANES Spectroscopy

We use theoretical X-ray absorption near-edge spectroscopy (XANES) to investigate the electronic structure of the active sites on the Co3O4 (001) surface during 2-propanol oxidation to acetone in humid conditions. In the gas phase, the O K-edge spectra of 2-propanol and acetone, as well that of 2-propoxide considered as a reaction intermediate, present no pre-edge peaks. Upon 2-propanol adsorption at the Co site of the Co3O4 (001) surface, the O K-edge spectrum presents a distinct peak preceded by a bump in the pre-edge region, both due to dipole transitions from O 1s to 2p states hybridized with Co 3d empty states. The formation of 2-propoxide leads to two distinct pre-edge peaks due to the increase of 3d empty states. A further increment of these pre-edge peaks is observed when acetone is formed and is rather ascribed to the new contributions of carbon 2p empty states in the transitions occurring in the pre-edge region. The changes observed in the pre-edge peak along the oxidation were correlated to the electronic configuration and hybridization of the cobalt atom directly bonded to alcohol. The variation of electron densities was also monitored for all surface cobalt atoms including the ones on which molecular water and dissociated water are adsorbed. The PDOS analysis and crystal field theory showed that adsorption of 2-propanol and molecular water on the surface does not change the oxidation state of +3, while surface cobalt atoms bonded to OH groups have an oxidation state of +4. The 3d Löwdin charges analysis shows pronounced cooperative effects between both Co sites during the last oxidation step which corresponds to the decomposition of 2-propoxide to acetone.

Investigation of Spherical Al2O3 Magnetic Abrasive Prepared by Novel Method for Finishing of the Inner Surface of Cobalt-Chromium Alloy Cardiovascular Stents Tube.

In this investigation, spherical Al2O3 magnetic abrasive particles (MAPs) were used to polish the inner surface of ultra-fine long cobalt-chromium alloy cardiovascular stent tubes. The magnetic abrasives were prepared by combining plasma molten metal powder and hard abrasives, and the magnetic abrasives prepared by this new method are characterized by high sphericity, narrow particle size distribution range, long life, and good economic value. Firstly, the spherical Al2O3 magnetic abrasives were prepared by the new method; secondly, the polishing machine for the inner surface of the ultra-fine long cardiovascular stent tubes was developed; finally, the influence laws of spindle speed, magnetic pole speed, MAP filling quantities, the magnetic pole gap on the surface roughness (Ra), and the removal thickness (RT) of tubes were investigated. The results showed that the prepared Al2O3 magnetic abrasives were spherical in shape, and their superficial layer was tightly bound with Al2O3 hard abrasives with sharp cutting; the use of spherical Al2O3 magnetic abrasives could achieve the polishing of the inner surface of ultra-fine cobalt-chromium alloy cardiovascular bracket tubes, and after processing, the inner surface roughness (Ra) of the tubes decreased from 0.337 µm to 0.09 µm and had an RT of 5.106 µm.

Thermal atomic layer etching of cobalt using plasma chlorination and chelation with hexafluoroacetylacetone

In this study, a thermal atomic layer etching process for Co comprising two steps––plasma chlorination and chelation with hexafluoroacetylacetone (Hhfac)––was developed. The Co surface was chlorinated with BCl3 plasma to form CoCl2 in the plasma chlorination step, and the thickness of CoCl2 was measured using secondary ion mass spectrometry. In the chelation step, CoCl2 was removed from the surface by forming a volatile etch product at temperatures ≥ 150 °C, and the Etch per cycle (EPC) of Co was constant in the temperature range of 150–175 °C. Above 200 °C, the EPC of Co decreased owing to Hhfac decomposition at high process temperatures. The EPC of Co increased from 1.1 to 2.1 nm as the chlorination time increased from 30 to 90 s; however, it saturated with increasing Hhfac exposure time. Density functional theory calculations showed that the adsorption of Hhfac on the chlorinated Co surface is the rate-determining-step in the chelation process of chlorinated cobalt surfaces. The final reaction product of the chelation reaction is suggested to be CoCl2(hfac). The Hhfac adsorption step is the rate-determining-step in the chelation process of chlorinated cobalt surfaces.

Water and Hydroxyl Reactivity on Flat and Stepped Cobalt Surfaces

Hydroxyl adsorbates generally appear as transient species during water formation from adsorbed oxygen and hydrogen atoms on a metal surface, a reaction that is part of the catalytic cycle in various important surface-catalyzed reactions such as Fischer–Tropsch synthesis. In the present work, temperature-programmed desorption and in situ synchrotron XPS were used to study water adsorption and OH reactivity on a flat and a stepped cobalt single crystal surface. Water adsorbs intact on the flat Co(0001) surface and desorbs around 160 K. Electrons induce dissociation of water and produce OH species at low temperature. Hydroxyl species can also be formed by the reaction between Oad and H2O, but only for high initial oxygen coverage while low coverage Oad appears largely unreactive. Reactive hydrogen species (H atoms) produced by a hot tungsten filament hydrogenate adsorbed oxygen atoms at low temperature already and both OHad and H2O are formed. In all cases, hydroxyl adsorbates react around 190 K to form water via 2 OHad → H2O (g) + Oad associated with an activation barrier of 40–50 kJ mol–1. Water readily dissociates on the step sites exposed by vicinal Co(10–19). A part of the OHad species recombine to form water and oxygen between 200 and 300 K, while decomposition of OHad into Oad and Had dominates above 370 K. For catalysis, the high reactivity of step sites for water dissociation and the high stability of OHad at these sites implies that O removal from these sites may be difficult and may limit the overall rate of Fischer–Tropsch synthesis on cobalt catalysts.

Higher alcohols synthesis via Fischer–Tropsch reaction at hcp-Co@Co2C interface

The hcp-Co@Co2C catalysts were prepared by partial carbonization conversion of hcp-Co, which possessed rich Co-Co2C interface and strong synergy between hcp-Co and Co2C, compared with fcc-Co. The degree of carbonization conversion was easy to control, for ethyne was used as carbon source to dissociate on the surface of cobalt to form carbon species, and then carbonization conversion took place and hcp-Co@Co2C formed. The prepared hcp-Co@Co2C catalysts exhibited high selectivity of higher alcohols, compared with hcp-Co, owing to the rich interface and strong synergy between hcp-Co and Co2C.

A green method for preparing a porous yeast-derived carbon with high loading of elemental cobalt and high-specific surface area and its application in lithium-sulphur batteries

A green method for preparing a porous yeast-derived carbon with high loading of elemental cobalt and high-specific surface area and its application in lithium-sulphur batteries

二酸化炭素を原料としたフィッシャー・トロプシュ合成に有効なK–Co/SiO<sub>2</sub>触媒のコバルト表面状態にカリウムがもたらす影響の検証

カーボンニュートラル実現に向けて，CO2水素化による燃料油合成技術が注目されている。CO2を原料としたフィッシャー・トロプシュ合成にカリウムを添加したコバルト系触媒を用いることで，炭素鎖が成長し液体炭化水素が生成され，同時にメタン生成が抑制されることが報告されている。一方で，カリウム添加による活性変化の詳細は明らかにされていない。本研究では，赤外分光法，X線光電子分光法を用いカリウム添加コバルト触媒の表面状態を分析し，カリウムがもたらす効果を詳細に調査した。カリウム添加によりコバルト表面が還元雰囲気下でも部分的に酸化された状態を維持し，CO2吸着サイトとなる弱塩基点として作用することが明らかになった。カリウム添加コバルト系触媒では，反応ガスのH2/CO2比を1にすると，液相生成物選択率が53 %となった。また，得られた液相生成物には有用化学品原料となり得る1-アルコールや酢酸が含まれていた。

In‐Depth NMR Investigation of the Magnetic Hardening in Co Thin Films Induced by the Interface with Molecular Layers

AbstractThe hybridization of the surface orbitals of thin ferromagnetic layers with molecular orbitals represents a soft but efficient technology that is able to induce in ferromagnetic component radical modifications of the key magnetic parameters, such as magnetization, magnetic anisotropy, and others. These effects are investigated in 7 nm thick polycrystalline Co films interfaced with C60 and Gaq3 molecular layers by combining 59Co Ferromagnetic nuclear resonance spectroscopy (FNR) and magneto‐optic kerr effect (MOKE) techniques. It is demonstrated that the surface hybridization produces a significant magnetic hardening with respect to a reference Co/Al system and that the molecule‐induced effects modify the magnetic properties of entire Co layer, propagating for several nm from the interface. The FNR spectroscopy also reveals a reconstruction of the magnetic environment at the cobalt surface, whose observation in polycrystalline films is especially intriguing. The results shed new and unexpected light on the interfacial physics in such systems, whose understanding necessitates further experimental and theoretical research.

Effect of hydroxyl (·OH) radicals on the progression of NaBH4 hydrolysis reaction on fcc-Co surfaces: A DFT study

The effect of ·OH radical in the medium for the sodium borohydride (NaBH4) hydrolysis reaction in presence of face-centered cubic (fcc) Cobalt (Co) catalyst was investigated based on density functional theory (DFT). The main purpose is to determine the effective cobalt surface for the disassociation of hydrogen from NaBH4, and the catalyst performance for the intermediate steps formed by the decomposition of water on the cobalt surface. Low index fcc-Co catalyst surfaces were used for the catalyzed NaBH4 hydrolysis reaction. As a result of the calculations, Co(111) is the most effective surface among the low index fcc-Co surfaces for the hydrolysis reaction. Therefore, the possible steps of the NaBH4 hydrolysis reaction are modeled on the Co(111) surface for ambient conditions containing different concentrations of H* atoms, ·OH* radicals, and H2O* molecules. According to our results, the concentration of ·OH* radicals adsorbed on the surface is directly proportional to the change in activation energy. In addition, calculations for the possible second and third steps of the hydrolysis reaction showed that the steps involving NaBH3OH and NaBH3O base molecular structures, respectively, are more feasible than others. This will be a guide for experimental studies in terms of time and cost.

Multi-heterointerfaces for selective and efficient urea production.

A major impediment to industrial urea synthesis is the lack of catalysts with high selectivity and activity, which inhibits the efficient industrial production of urea. Here, we report a new catalyst system suitable for the highly selective synthesis of industrial urea by in situ growth of graphdiyne on the surface of cobalt-nickel mixed oxides. Such a catalyst is a multi-heterojunction interfacial structure resulting in the obvious incomplete charge-transfer phenomenon between a graphdiyne and metal oxide interface and multiple intermolecular interactions. These intrinsic characteristics are the origin of the high performance of the catalyst. Studies on the mechanism reveal that the catalyst could effectively optimize the adsorption/desorption capacities of the intermediate and promote direct C-N coupling by significantly suppressing by-product reactions toward the formation of H2, CO, N2 and NH3. The catalyst can selectively synthesize urea directly from nitrite and carbon dioxide in water at room temperature and pressure, and exhibits a record-high Faradaic efficiency of 64.3%, nitrogen selectivity (Nurea-selectivity) of 86.0%, carbon selectivity (Curea-selectivity) of ∼100%, as well as urea yield rates of 913.2μgh-1mgcat -1 and remarkable long-term stability.

Investigation on the control effect of benzotriazole and two derivatives on cobalt pitting corrosion in chemical mechanical polishing process: A combination of experiments and theoretical simulations

As integrated circuits shrink in feature size to 10 nm, the requirements of pitting defects on the cobalt (Co) surface become more stringent during the chemical mechanical polishingof Co interconnects. In this work, the corrosion inhibition effects of benzotriazole (BTA) and its two derivatives, 5-methyl benzotriazole (MBTA) and 2,2′-[[(methyl-1H-benzotriazol-1-yl)methyl]imino]bis-Ethanol (TT-LYK) in the slurry at pH 9 were studied by electrochemical methods, contact angle measurement, and scanning electron microscopy (SEM). The adsorption process of the three inhibitors on the cobalt surface could be described by the Langmuir isotherm model. All the azole corrosion inhibitors belong to anodic corrosion inhibitors for Co in a weak alkaline environment. When 8 mM BTA, MBTA and TT-LYK was added to the base solution containing 0.15 wt% glycine and 0.5 wt% H2O2, respectively, the corrosion inhibition efficiency reached 87.67%, 92.63% and 95.38%. In addition, the SEM results show that there are almost no pitting defects on the Co surface protected by TT-LYK. Furthermore, the quantum chemical parameters of the three inhibitors were calculated by molecular dynamics and density functional theory. The experimental data support the results of the density functional theory and Molecular dynamic simulation.

Electrochemical approach to the surface characterization of mechanochemically synthesized alumina-supported cobalt applicable in glucose sensing

The main goals of this study are: (i) employ the electrochemical methods as alternative methods for alumina-supported cobalt (Co-A) surface characterization; (ii) investigate the electro-catalytic activity of different cobalt phases toward glucose, and (iii) implement the mechanochemical approach for the synthesis of the fourth generation of glucose sensing materials. Co3O4 and alumina were either manually grinded (Co3O4-A) or ball-milled (CoAl2O4-A) with different amounts of cobalt in CoAl2O4-A. The final products were characterized by XRF, LDPSA, XRD, and TPR. The electrodes were prepared in the form of the carbon paste electrode and tested in supporting electrolyte (1 M NaOH) as well as in a glucose-containing solution. The CV, EIS, and chronoamperometry were used for electrochemical measurements. TPR revealed the formation of CoAl2O4 during the ball milling process. Different cobalt phases significantly affected the electrochemical responses. Higher activity of CoAl2O4-A toward glucose oxidation in comparison with Co3O4-A was ascribed to tetrahedral Co2+ ion acting as the active site in glucose oxidation. In addition, results convinced employing the scarcely employed mechanochemical synthesis protocols for obtaining glucose-sensing materials. Finally, it was proven that electrochemical techniques can be harnessed as alternative, new, powerful methods for Co-A surface characterization.

Effect of Slurry Additives on Co-BTA Complex Stability and Inhibition Property During Co CMP Process

The stability of the cobalt surface after the CMP process is crucial to prevent the corrosion of the surface during the wafer transfer step. The stability of the Co-BTA complex is investigated in this work by using various experimental and surface analysis techniques. The higher inhibition efficiency of the Co-BTA complex observed at pH 7 was further investigated, and a more passive Co surface was observed during the de-ionized water (DIW) rinsing step. The low stability of the Co-BTA complex in the presence of slurry additives was confirmed from the accelerated oxidative dissolution of the Co surface compared to the adsorption of BTA. Ex-situ electrochemical impedance spectroscopy (EIS) was further performed to analyze the stability of the Co-BTA complex to confirm the passivation of Co during the DIW rinsing step. The corrosion resistance of the Co surface during the rinsing step is further enhanced by reducing the dissolved oxygen content.

Nicotinic acid as a novel inhibitor for alkaline cobalt CMP: Experiment and molecular simulation

Cobalt (Co) is the interconnect metal of integrated circuits with the feature size of 10 nm and below, and Co corrosion is the main problem in cobalt interconnect chemical mechanical polishing (CMP). The introduction of inhibitors is one of the most ideal approaches to reduce corrosion. In this work, useful insights into the corrosion inhibition performance of nicotinic acid (NA), a green inhibitor, on cobalt film in alkaline medium were investigated via electrochemical characterization, surface analysis, quantum chemical calculation, and molecular dynamics (MD) simulation, as well as the adsorption mechanism at atomic level was explored. NA belongs to anodic erosion inhibitor and its inhibition efficiency reached a maximum of 86.65 % at the concentration of 80 mM pH 10, which was identified by the contact angle and potentiodynamic polarization (PDP) test. The electrochemical impedance spectra (EIS) suggested that the surface resistance was enhanced to prevent corrosion. Free energy obtained from the Langmuir model indicates that NA molecules are physically and spontaneously adsorbed on cobalt surface. XPS results further confirmed this point, which reveals that NA exists in the form of Nic2− in alkaline solution and forms a Co(OH)2(Nic2-) molecule group (Co(II)-NA) on Co surface. Additionally, quantum chemical calculations based on density function theory (DFT) have approved that CN bond and carboxyl group are the active sites of NA molecule and form the most significant electrostatic adsorption force with cobalt atoms. Moreover, it can be inferred from MD simulations that NA molecules are spontaneously and physically adsorbed on the cobalt surface at a certain angle. In a word, NA manifests its effectiveness in corrosion inhibition of cobalt and will become a potential cobalt CMP inhibitor. The research methods and results of this paper are beneficial to the study of the adsorption characteristics and inhibition mechanism of inhibitors on the metal surface, and provide a theoretical basis for optimizing the composition of Co CMP slurry.