Xue Li , Dongdong Zhao , Ning Liu , Pengfei Wu , Wentao Liu , Yongwei Zhu
{"title":"磨料划伤深度对SiC衬底化学反应的影响","authors":"Xue Li , Dongdong Zhao , Ning Liu , Pengfei Wu , Wentao Liu , Yongwei Zhu","doi":"10.1016/j.commatsci.2025.113864","DOIUrl":null,"url":null,"abstract":"<div><div>The mechanism of mechanical and chemical interaction in chemical mechanical polishing (CMP) process is still elusive, which has great limitations on the improvement of material removal efficiency of SiC. In this paper, the molecular dynamics simulation was used to study the reaction process between scratched SiC and H<sub>2</sub>O<sub>2</sub> solution at different temperatures. The effects of scratching behavior of diamond abrasive on the chemical reactivity of SiC surface were studied, focusing on the types and quantities of reaction groups, the micromechanical properties of SiC surface and the structural phase transition. The simulation results showed that the existence of surface scratches can not only greatly enhance the chemical reactivity of SiC surface, resulting in an increase in the variety of reactive groups and making a promotion to the formation of polyhydroxy-silicon and metasilicic acid structures, but also dramatically reduce its surface nanoindentation hardness and elastic modulus. Additionally, the scratching experiment and the C/Si/O binding energy site obtained by XPS have also verified the enhancement effects of diamond abrasive scratching on the chemical reactivity of SiC surface. The work reveals the effect mechanism of mechanical action on chemical action in detail and helps with deeper understanding of the CMP process of SiC wafer.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"253 ","pages":"Article 113864"},"PeriodicalIF":3.1000,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Effects of abrasive scratching depth on chemical reaction of SiC substrate\",\"authors\":\"Xue Li , Dongdong Zhao , Ning Liu , Pengfei Wu , Wentao Liu , Yongwei Zhu\",\"doi\":\"10.1016/j.commatsci.2025.113864\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The mechanism of mechanical and chemical interaction in chemical mechanical polishing (CMP) process is still elusive, which has great limitations on the improvement of material removal efficiency of SiC. In this paper, the molecular dynamics simulation was used to study the reaction process between scratched SiC and H<sub>2</sub>O<sub>2</sub> solution at different temperatures. The effects of scratching behavior of diamond abrasive on the chemical reactivity of SiC surface were studied, focusing on the types and quantities of reaction groups, the micromechanical properties of SiC surface and the structural phase transition. The simulation results showed that the existence of surface scratches can not only greatly enhance the chemical reactivity of SiC surface, resulting in an increase in the variety of reactive groups and making a promotion to the formation of polyhydroxy-silicon and metasilicic acid structures, but also dramatically reduce its surface nanoindentation hardness and elastic modulus. Additionally, the scratching experiment and the C/Si/O binding energy site obtained by XPS have also verified the enhancement effects of diamond abrasive scratching on the chemical reactivity of SiC surface. The work reveals the effect mechanism of mechanical action on chemical action in detail and helps with deeper understanding of the CMP process of SiC wafer.</div></div>\",\"PeriodicalId\":10650,\"journal\":{\"name\":\"Computational Materials Science\",\"volume\":\"253 \",\"pages\":\"Article 113864\"},\"PeriodicalIF\":3.1000,\"publicationDate\":\"2025-04-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computational Materials Science\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0927025625002071\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational Materials Science","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0927025625002071","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Effects of abrasive scratching depth on chemical reaction of SiC substrate
The mechanism of mechanical and chemical interaction in chemical mechanical polishing (CMP) process is still elusive, which has great limitations on the improvement of material removal efficiency of SiC. In this paper, the molecular dynamics simulation was used to study the reaction process between scratched SiC and H2O2 solution at different temperatures. The effects of scratching behavior of diamond abrasive on the chemical reactivity of SiC surface were studied, focusing on the types and quantities of reaction groups, the micromechanical properties of SiC surface and the structural phase transition. The simulation results showed that the existence of surface scratches can not only greatly enhance the chemical reactivity of SiC surface, resulting in an increase in the variety of reactive groups and making a promotion to the formation of polyhydroxy-silicon and metasilicic acid structures, but also dramatically reduce its surface nanoindentation hardness and elastic modulus. Additionally, the scratching experiment and the C/Si/O binding energy site obtained by XPS have also verified the enhancement effects of diamond abrasive scratching on the chemical reactivity of SiC surface. The work reveals the effect mechanism of mechanical action on chemical action in detail and helps with deeper understanding of the CMP process of SiC wafer.
期刊介绍:
The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.