基于密度泛函理论,对氧化铟锡(Indium Tin Oxide,ITO)表面负载单原子Y模型的表面性能进行了第一性原理计算.根据表面能计算结果可知,单原子Y最稳定负载位置为空位(H),即确定了ITO负载单原子钇(Single-atom Y supported on ITO,Y/ITO)稳...基于密度泛函理论,对氧化铟锡(Indium Tin Oxide,ITO)表面负载单原子Y模型的表面性能进行了第一性原理计算.根据表面能计算结果可知,单原子Y最稳定负载位置为空位(H),即确定了ITO负载单原子钇(Single-atom Y supported on ITO,Y/ITO)稳定模型.对ITO和Y/ITO表面吸附气体分子(NO和CO)模型的吸附性能进行了第一性原理计算.根据对比ITO和Y/ITO表面的吸附能和态密度计算结果可知,单原子钇负载提高了ITO表面的稳定性和吸附性能.根据对比Y/ITO表面吸附NO和CO气体分子的吸附能和态密度计算结果可知,NO和CO气体分子吸附均为自发行为,过程放热.且NO气体分子更容易吸附在Y/ITO表面,即Y/ITO对NO气体分子更敏感.展开更多
为研究氧化铟锡(indium tin oxide,ITO)导电玻璃材料的去除机理,采用单磨粒对材料进行切削仿真,建立了ITO导电玻璃的材料模型,根据加工表面形貌、应力和切削力情况分析了材料去除机理,之后研究了切削参数对切削力和残余应力的影响,并与...为研究氧化铟锡(indium tin oxide,ITO)导电玻璃材料的去除机理,采用单磨粒对材料进行切削仿真,建立了ITO导电玻璃的材料模型,根据加工表面形貌、应力和切削力情况分析了材料去除机理,之后研究了切削参数对切削力和残余应力的影响,并与钠钙玻璃进行对比分析。结果表明:在磨粒的切削过程中,材料的去除受ITO薄膜层、玻璃基底和内聚力接触行为的共同影响,会产生分层、通道开裂和层间断裂等失效形式;随着磨粒的进给,切削力在一定范围内波动,且呈现上升、稳定、降低的变化,同时磨粒的切削力与切削速度和切削深度呈正相关;薄膜上残余应力相比玻璃基底,数值更大且波动更剧烈;当切削深度接近ITO薄膜厚度时,薄膜的存在对磨粒切削行为的影响显著。展开更多
We deposited indium-tin-oxide(ITO)films on silicon and quartz substrates by magnetron sputtering technology in pure argon.Using electrostatic quadrupole plasma diagnostic technology,we investigate the effects of disch...We deposited indium-tin-oxide(ITO)films on silicon and quartz substrates by magnetron sputtering technology in pure argon.Using electrostatic quadrupole plasma diagnostic technology,we investigate the effects of discharge power and discharge pressure on the ion flux and energy distribution function of incidence on the substrate surface,with special attention to the production of high-energy negative oxygen ions,and elucidate the mechanism behind its production.At the same time,the structure and properties of ITO films are systematically characterized to understand the potential effects of high energy oxygen ions on the growth of ITO films.Combining with the kinetic property analysis of sputtering damage mechanism of transparent conductive oxide(TCO)thin films,this study provides valuable physical understanding of optimization of TCO thin film deposition process.展开更多
This study delves into ion behavior at the substrate position within RF magnetron discharges utilizing an indium tin oxide(ITO)target.The positive ion energies exhibit an upward trajectory with increasing RF power,att...This study delves into ion behavior at the substrate position within RF magnetron discharges utilizing an indium tin oxide(ITO)target.The positive ion energies exhibit an upward trajectory with increasing RF power,attributed to heightened plasma potential and initial emergent energy.Simultaneously,the positive ion flux escalates owing to amplified sputtering rates and electron density.Conversely,negative ions exhibit broad ion energy distribution functions(IEDFs)characterized by multiple peaks.These patterns are clarified by a combination of radiofrequency oscillation of cathode voltage and plasma potential,alongside ion transport time.This elucidation finds validation in a one-dimensional model encompassing the initial ion energy.At higher RF power,negative ions surpassing 100 e V escalate in both flux and energy,posing a potential risk of sputtering damages to ITO layers.展开更多
文摘基于密度泛函理论,对氧化铟锡(Indium Tin Oxide,ITO)表面负载单原子Y模型的表面性能进行了第一性原理计算.根据表面能计算结果可知,单原子Y最稳定负载位置为空位(H),即确定了ITO负载单原子钇(Single-atom Y supported on ITO,Y/ITO)稳定模型.对ITO和Y/ITO表面吸附气体分子(NO和CO)模型的吸附性能进行了第一性原理计算.根据对比ITO和Y/ITO表面的吸附能和态密度计算结果可知,单原子钇负载提高了ITO表面的稳定性和吸附性能.根据对比Y/ITO表面吸附NO和CO气体分子的吸附能和态密度计算结果可知,NO和CO气体分子吸附均为自发行为,过程放热.且NO气体分子更容易吸附在Y/ITO表面,即Y/ITO对NO气体分子更敏感.
文摘为研究氧化铟锡(indium tin oxide,ITO)导电玻璃材料的去除机理,采用单磨粒对材料进行切削仿真,建立了ITO导电玻璃的材料模型,根据加工表面形貌、应力和切削力情况分析了材料去除机理,之后研究了切削参数对切削力和残余应力的影响,并与钠钙玻璃进行对比分析。结果表明:在磨粒的切削过程中,材料的去除受ITO薄膜层、玻璃基底和内聚力接触行为的共同影响,会产生分层、通道开裂和层间断裂等失效形式;随着磨粒的进给,切削力在一定范围内波动,且呈现上升、稳定、降低的变化,同时磨粒的切削力与切削速度和切削深度呈正相关;薄膜上残余应力相比玻璃基底,数值更大且波动更剧烈;当切削深度接近ITO薄膜厚度时,薄膜的存在对磨粒切削行为的影响显著。
基金supported by the National Key R&D Program of China(Grant No.2022YFE03050001)the National Natural Science Foundation of China(Grant Nos.12175160 and 12305284).The authors thank Suzhou Maxwell Technologies Co.,Ltd.for partial hardware and particle financial support to carry out the research.
文摘We deposited indium-tin-oxide(ITO)films on silicon and quartz substrates by magnetron sputtering technology in pure argon.Using electrostatic quadrupole plasma diagnostic technology,we investigate the effects of discharge power and discharge pressure on the ion flux and energy distribution function of incidence on the substrate surface,with special attention to the production of high-energy negative oxygen ions,and elucidate the mechanism behind its production.At the same time,the structure and properties of ITO films are systematically characterized to understand the potential effects of high energy oxygen ions on the growth of ITO films.Combining with the kinetic property analysis of sputtering damage mechanism of transparent conductive oxide(TCO)thin films,this study provides valuable physical understanding of optimization of TCO thin film deposition process.
基金financial supports by National Natural Science Foundation of China(Nos.11975163 and 12175160)Nantong Basic Science Research-General Program(No.JC22022034)Natural Science Research Fund of Jiangsu College of Engineering and Technology(No.GYKY/2023/2)。
文摘This study delves into ion behavior at the substrate position within RF magnetron discharges utilizing an indium tin oxide(ITO)target.The positive ion energies exhibit an upward trajectory with increasing RF power,attributed to heightened plasma potential and initial emergent energy.Simultaneously,the positive ion flux escalates owing to amplified sputtering rates and electron density.Conversely,negative ions exhibit broad ion energy distribution functions(IEDFs)characterized by multiple peaks.These patterns are clarified by a combination of radiofrequency oscillation of cathode voltage and plasma potential,alongside ion transport time.This elucidation finds validation in a one-dimensional model encompassing the initial ion energy.At higher RF power,negative ions surpassing 100 e V escalate in both flux and energy,posing a potential risk of sputtering damages to ITO layers.
