title: Reversible Tuning of Interfacial and Intramolecular Charge Transfer in Individual MnPc Molecules.
abstract: The reversible selective hydrogenation and dehydrogenation of individual manganese phthalocyanine (MnPc) molecules has been investigated using photoelectron spectroscopy (PES), low-temperature scanning tunneling microscopy (LT-STM), synchrotron-based near edge X-ray absorption fine structure (NEXAFS) measurements, and supported by density functional theory (DFT) calculations. It is shown conclusively that interfacial and intramolecular charge transfer arises during the hydrogenation process. The electronic energetics upon hydrogenation is identified, enabling a greater understanding of interfacial and intramolecular charge transportation in the field of single-molecule electronics.
authors.affiliation: School of Physics and Optoelectronic Engineering, Nanjing University of Information Science and Technology , Nanjing, Jiangsu 210044, China.|Department of Chemistry, National University of Singapore , 3 Science Drive 3, 117543, Singapore.|Department of Physics, National University of Singapore , 2 Science Drive 3, 117542, Singapore.
authors.forename: Jian-Qiang
authors.initials: JQ
authors.lastname: Zhong
authors.affiliation: Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China , Hefei 230026, China.|Guizhou Provincial Key Laboratory of Computational Nanomaterial Science, Guizhou Normal College , Guiyang 550018, China.
authors.forename: Zhunzhun
authors.initials: Z
authors.lastname: Wang
authors.affiliation: Department of Chemistry, National University of Singapore , 3 Science Drive 3, 117543, Singapore.|Department of Physics, National University of Singapore , 2 Science Drive 3, 117542, Singapore.
authors.forename: Jia Lin
authors.initials: JL
authors.lastname: Zhang
authors.affiliation: Department of Chemistry and Physics, La Trobe Institute for Molecular Science, La Trobe University , Melbourne, Victoria 3086, Australia.
authors.forename: Christopher A
authors.initials: CA
authors.lastname: Wright
authors.affiliation: Department of Physics, National University of Singapore , 2 Science Drive 3, 117542, Singapore.
authors.forename: Kaidi
authors.initials: K
authors.lastname: Yuan
authors.affiliation: Department of Chemistry, National University of Singapore , 3 Science Drive 3, 117543, Singapore.
authors.forename: Chengding
authors.initials: C
authors.lastname: Gu
authors.affiliation: Department of Chemistry and Physics, La Trobe Institute for Molecular Science, La Trobe University , Melbourne, Victoria 3086, Australia.|Australian Synchrotron , 800 Blackburn Road, Clayton, Victoria 3168, Australia.
authors.forename: Anton
authors.initials: A
authors.lastname: Tadich
authors.affiliation: Department of Chemistry and Physics, La Trobe Institute for Molecular Science, La Trobe University , Melbourne, Victoria 3086, Australia.
authors.forename: Dongchen
authors.initials: D
authors.lastname: Qi
authors.affiliation: Chinese Education Ministry Key Laboratory of Resource Chemistry, Shanghai Normal University , Shanghai 200234, China.
authors.forename: He Xing
authors.initials: HX
authors.lastname: Li
authors.affiliation: School of Physics and Optoelectronic Engineering, Nanjing University of Information Science and Technology , Nanjing, Jiangsu 210044, China.
authors.forename: Min
authors.initials: M
authors.lastname: Lai
authors.affiliation: College of Chemistry and Molecular Engineering, Peking University , Beijing 100871, China.|Singapore-Peking University Research Center for a Sustainable Low-Carbon Future , 1 CREAT Way, #15-01, CREAT Tower, 138602, Singapore.
authors.forename: Kai
authors.initials: K
authors.lastname: Wu
authors.affiliation: Department of Chemistry, National University of Singapore , 3 Science Drive 3, 117543, Singapore.|Singapore-Peking University Research Center for a Sustainable Low-Carbon Future , 1 CREAT Way, #15-01, CREAT Tower, 138602, Singapore.|National University of Singapore (Suzhou) Research Institute , 377 Lin Quan Street, Suzhou Industrial Park, Jiangsu 215123, China.
authors.forename: Guo Qin
authors.initials: GQ
authors.lastname: Xu
authors.affiliation: Department of Chemistry, School of Science, Tianjin University and Collaborative Innovation Center of Chemical Science and Engineering (Tianjin) , Tianjin 300072, China.
authors.forename: Wenping
authors.initials: W
authors.lastname: Hu
authors.affiliation: Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China , Hefei 230026, China.
authors.forename: Zhenyu
authors.initials: Z
authors.lastname: Li
authors.affiliation: Department of Chemistry, National University of Singapore , 3 Science Drive 3, 117543, Singapore.|Department of Physics, National University of Singapore , 2 Science Drive 3, 117542, Singapore.|Singapore-Peking University Research Center for a Sustainable Low-Carbon Future , 1 CREAT Way, #15-01, CREAT Tower, 138602, Singapore.|National University of Singapore (Suzhou) Research Institute , 377 Lin Quan Street, Suzhou Industrial Park, Jiangsu 215123, China.
authors.forename: Wei
authors.initials: W
authors.lastname: Chen
keywords: Manganese phthalocyanine; charge transfer; hydrogenation and dehydrogenation; reversible control