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Phys.: Condens. Matter"],"published-print":{"date-parts":[[2018,1,24]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    Hydrogen and hydrogen-containing gases are commonly used as reductants in chemical vapor deposition growth of MoS\n                    <jats:sub>2<\/jats:sub>\n                    . Here, we consider the defects resulting from the presence of hydrogen during growth and the resulting electronically active defects. In particular, we find that the interstitial hydrogen defect is a negative-\n                    <jats:italic>U<\/jats:italic>\n                    center with amphoteric donor and acceptor properties. Additionally, we consider the effects of interaction with water and oxygen. The defects are analysed using density functional theory calculations.\n                  <\/jats:p>","DOI":"10.1088\/1361-648x\/aaa03f","type":"journal-article","created":{"date-parts":[[2017,12,8]],"date-time":"2017-12-08T07:15:19Z","timestamp":1512717319000},"page":"035003","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":32,"title":["Adsorption of H\n                    <sub>2<\/sub>\n                    , O\n                    <sub>2<\/sub>\n                    , H\n                    <sub>2<\/sub>\n                    O, OH and H on monolayer MoS\n                    <sub>2<\/sub>"],"prefix":"10.1088","volume":"30","author":[{"given":"F","family":"Ferreira","sequence":"first","affiliation":[]},{"given":"A","family":"Carvalho","sequence":"additional","affiliation":[]},{"given":"\u00cd J M","family":"Moura","sequence":"additional","affiliation":[]},{"given":"J","family":"Coutinho","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1485-6809","authenticated-orcid":false,"given":"R M","family":"Ribeiro","sequence":"additional","affiliation":[]}],"member":"266","published-online":{"date-parts":[[2017,12,19]]},"reference":[{"key":"cmaaa03fbib001","doi-asserted-by":"publisher","first-page":"934","DOI":"10.1002\/jcc.21112","type":"journal-article","volume":"30","author":"Barone","year":"2009","journal-title":"J. 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All rights, including for text and data mining, AI training, and similar technologies, are reserved.","name":"copyright_information","label":"Copyright Information"},{"value":"2017-10-18","name":"date_received","label":"Date Received","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2017-12-08","name":"date_accepted","label":"Date Accepted","group":{"name":"publication_dates","label":"Publication dates"}},{"value":"2017-12-19","name":"date_epub","label":"Online publication date","group":{"name":"publication_dates","label":"Publication dates"}}]}}