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Improved description of hematite surfaces by the SCAN functional.
Si, Yitao; Li, Mingtao; Zhou, Zhaohui; Liu, Maochang; Prezhdo, Oleg.
Affiliation
  • Si Y; International Research Center for Renewable Energy, State Key Laboratory of Multiphase Flow, Xi'an Jiaotong University, Xi'an, Shaanxi 710049, People's Republic of China.
  • Li M; International Research Center for Renewable Energy, State Key Laboratory of Multiphase Flow, Xi'an Jiaotong University, Xi'an, Shaanxi 710049, People's Republic of China.
  • Zhou Z; Chemical Engineering and Technology, School of Environmental Science and Engineering, Key Laboratory of Subsurface Hydrology and Ecological Effects in Arid Region, Ministry of Education, Chang'an University, Xi'an 710064, China.
  • Liu M; International Research Center for Renewable Energy, State Key Laboratory of Multiphase Flow, Xi'an Jiaotong University, Xi'an, Shaanxi 710049, People's Republic of China.
  • Prezhdo O; Deparment of Chemistry, University of Southern California, Los Angeles, California 90089, USA.
J Chem Phys ; 152(2): 024706, 2020 Jan 14.
Article in En | MEDLINE | ID: mdl-31941307

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2020 Document type: Article

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2020 Document type: Article