Surface Charge Transfer Doping of Monolayer Phosphorene
via Molecular Adsorption
Yuanyuan He
Feifei Xia
Zhibin Shao
Jianwei Zhao
Jiansheng Jie
10.1021/acs.jpclett.5b01920.s001
https://acs.figshare.com/articles/journal_contribution/Surface_Charge_Transfer_Doping_of_Monolayer_Phosphorene_via_Molecular_Adsorption/2005653
Monolayer
phosphorene has attracted much attention owing to its
extraordinary electronic, optical, and structural properties. Rationally
tuning the electrical transport characteristics of monolayer phosphorene
is essential to its applications in electronic and optoelectronic
devices. Herein, we study the electronic transport behaviors of monolayer
phosphorene with surface charge transfer doping of electrophilic molecules,
including 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ),
NO<sub>2</sub>, and MoO<sub>3</sub>, using density functional theory
combined with the nonequilibrium Green’s function formalism.
F4TCNQ shows optimal performance in enhancing the p-type conductance
of monolayer phosphorene. Static electronic properties indicate that
the enhancement is originated from the charge transfer between adsorbed
molecule and phosphorene layer. Dynamic transport behaviors demonstrate
that additional channels for hole transport in host monolayer phosphorene
were generated upon the adsorption of molecule. Our work unveils the
great potential of surface charge transfer doping in tuning the electronic
properties of monolayer phosphorene and is of significance to its
application in high-performance devices.
2015-12-17 10:58:35
monolayer phosphorene
F 4TCNQ
Dynamic transport behaviors
Molecular AdsorptionMonolayer phosphorene
Surface Charge Transfer Doping
molecule
surface charge transfer doping
host monolayer phosphorene