{"title":"氧和碳在W(100)表面共吸附的物理过程:溶解在体中的原子碳的影响","authors":"E.V. Rut’kov, E.Y. Afanas’eva, N.R. Gall","doi":"10.1016/j.susc.2025.122837","DOIUrl":null,"url":null,"abstract":"<div><div>Interaction between atomic oxygen and carbon on the W(100) surface is being considered in the wide range of temperatures (300 - 2000 K) and concentrations of both adsorbates. Oxygen atoms do not dissolve in the substrate bulk and leave the surface in the form of CO molecules. In the case of initially pure tungsten bulk and at oxygen and carbon coverage <em>ϑ</em> ≈ 0.5 these atoms peacefully coexist on the surface without forming CO molecules up to <em>T</em> ∼ 1050 K; at higher temperatures C atoms are displaced from the surface into the bulk, in the dissolved state. At <em>T</em> > 1400 K, the dissolved carbon atoms come to the surface, forming CO molecules with adsorbed oxygen which are desorbed. Complete purification of the surface is achieved at 1600 K. Carbon atoms predissolved in the tungsten bulk significantly influence the processes of CO molecules formation. In the presence of C atoms preliminary dissolved in the tungsten bulk, the reaction of CO formation with subsequent desorption starts at 800 K, and complete oxygen removal is observed at 1200 K.</div></div>","PeriodicalId":22100,"journal":{"name":"Surface Science","volume":"762 ","pages":"Article 122837"},"PeriodicalIF":1.8000,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Physical processes in coadsorption of oxygen and carbon on the W(100) surface: influence of atomic carbon dissolved in the bulk\",\"authors\":\"E.V. Rut’kov, E.Y. Afanas’eva, N.R. Gall\",\"doi\":\"10.1016/j.susc.2025.122837\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Interaction between atomic oxygen and carbon on the W(100) surface is being considered in the wide range of temperatures (300 - 2000 K) and concentrations of both adsorbates. Oxygen atoms do not dissolve in the substrate bulk and leave the surface in the form of CO molecules. In the case of initially pure tungsten bulk and at oxygen and carbon coverage <em>ϑ</em> ≈ 0.5 these atoms peacefully coexist on the surface without forming CO molecules up to <em>T</em> ∼ 1050 K; at higher temperatures C atoms are displaced from the surface into the bulk, in the dissolved state. At <em>T</em> > 1400 K, the dissolved carbon atoms come to the surface, forming CO molecules with adsorbed oxygen which are desorbed. Complete purification of the surface is achieved at 1600 K. Carbon atoms predissolved in the tungsten bulk significantly influence the processes of CO molecules formation. In the presence of C atoms preliminary dissolved in the tungsten bulk, the reaction of CO formation with subsequent desorption starts at 800 K, and complete oxygen removal is observed at 1200 K.</div></div>\",\"PeriodicalId\":22100,\"journal\":{\"name\":\"Surface Science\",\"volume\":\"762 \",\"pages\":\"Article 122837\"},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2025-08-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Surface Science\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0039602825001426\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Surface Science","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0039602825001426","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Physical processes in coadsorption of oxygen and carbon on the W(100) surface: influence of atomic carbon dissolved in the bulk
Interaction between atomic oxygen and carbon on the W(100) surface is being considered in the wide range of temperatures (300 - 2000 K) and concentrations of both adsorbates. Oxygen atoms do not dissolve in the substrate bulk and leave the surface in the form of CO molecules. In the case of initially pure tungsten bulk and at oxygen and carbon coverage ϑ ≈ 0.5 these atoms peacefully coexist on the surface without forming CO molecules up to T ∼ 1050 K; at higher temperatures C atoms are displaced from the surface into the bulk, in the dissolved state. At T > 1400 K, the dissolved carbon atoms come to the surface, forming CO molecules with adsorbed oxygen which are desorbed. Complete purification of the surface is achieved at 1600 K. Carbon atoms predissolved in the tungsten bulk significantly influence the processes of CO molecules formation. In the presence of C atoms preliminary dissolved in the tungsten bulk, the reaction of CO formation with subsequent desorption starts at 800 K, and complete oxygen removal is observed at 1200 K.
期刊介绍:
Surface Science is devoted to elucidating the fundamental aspects of chemistry and physics occurring at a wide range of surfaces and interfaces and to disseminating this knowledge fast. The journal welcomes a broad spectrum of topics, including but not limited to:
• model systems (e.g. in Ultra High Vacuum) under well-controlled reactive conditions
• nanoscale science and engineering, including manipulation of matter at the atomic/molecular scale and assembly phenomena
• reactivity of surfaces as related to various applied areas including heterogeneous catalysis, chemistry at electrified interfaces, and semiconductors functionalization
• phenomena at interfaces relevant to energy storage and conversion, and fuels production and utilization
• surface reactivity for environmental protection and pollution remediation
• interactions at surfaces of soft matter, including polymers and biomaterials.
Both experimental and theoretical work, including modeling, is within the scope of the journal. Work published in Surface Science reaches a wide readership, from chemistry and physics to biology and materials science and engineering, providing an excellent forum for cross-fertilization of ideas and broad dissemination of scientific discoveries.