Han, BoWu, JinpingZhou, ChenggangChen, BeiGordon, RoyLei, XinjianRoberts, David A.Cheng, Hansong2017-08-082009Han, Bo, Jinping Wu, Chenggang Zhou, Bei Chen, Roy Gordon, Xinjian Lei, David A. Roberts, and Hansong Cheng. 2009. “First-Principles Simulations of Conditions of Enhanced Adhesion Between Copper and TaN(111) Surfaces Using a Variety of Metallic Glue Materials.” Angewandte Chemie International Edition 49 (1) (November 27): 148–152. doi:10.1002/anie.200905360.1433-7851http://nrs.harvard.edu/urn-3:HUL.InstRepos:33724768Better than Elmer's glue: Three necessary conditions for enhancement of solid interfacial interactions guide materials design to create strong, stable composites for interfacial adhesion. Ab initio molecular dynamics simulations were used to study copper adhesion on TaN(111) surfaces with a variety of intervening metals to enhance adhesion (see picture). The predicted adhesion phenomena agree well with experimental observations.en-USaggregationatomic layer depositioncopperinterfacessurface chemistryJournal Article10.1002/anie.200905360