{"paper":{"title":"Theoretical insight into the interaction of O2 and H2O molecules with the perfect and the defective InSe monolayers","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Chaozheng He, Dongwei Ma, Tingxian Li, Yuanxu Wang, Zhansheng Lu, Zhiwen Lu, Zongxian Yang","submitted_at":"2017-05-15T09:54:27Z","abstract_excerpt":"By using first-principles calculation, the interaction of O2 and H2O molecules with the pristine and the defective InSe monolayers is studied. It is predicted that the single Se and In vacancies exhibit significantly enhanced chemical activity toward the adsorbates compared with the perfect InSe lattice site, and the Se vacancies have a much higher chemical activity than the In vacancies. H2O molecule should be only physisorbed on the various InSe monolayers at ambient conditions, according to the calculated energies. The doping of the various InSe monolayers is discussed by the physisorbed H2"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1705.05140","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}