羰基合成与选择氧化国家重点实验室（OSSO）知识库

Inspired by the interesting phenomenon that biological systems have the inherent skill to generate
significant bioelectricity when the salt content in fluids flows over highly selective ion channels on cell
membranes, in this study, the flow-induced voltage is investigated by driving the pure bulk roomtemperature
ionic liquid (RTIL) 1-ethyl-3-methylimidazolium tetrafluoroborate ([Emim][BF4]) flowing over
a graphene nano-channel consisting of two parallel single-layered graphene sheets using molecular
dynamics simulation for the first time. Considering the combined effect of cations and anions in the
adsorbed layer on the free charge carriers of the graphene surfaces (the interactions are 12.0 and
7.0 kJ mol
1 per cation/anion and graphene, respectively) and the characteristic of Coulomb's law, we
have developed an advanced equation that can effectively and accurately calculate the flow-induced
voltage of RTIL and graphene nano-channel system on the nano-scale. A maximum flow-induced
voltage of 2.3 mV is obtained from this nano-scaled system because the free charge carrier on the
graphene channel surfaces is dragged along the pure bulk RTIL's direction of movement. A saturation of
the flow-induced voltage with increased flow velocity is observed, and this saturation can be attributed
to the balance between the external driving force and viscous resistance arising from the internal RTIL
and graphene nano-channel. Further analysis shows that the flow-induced voltages gradually increase
towards saturation from 1.9 to 2.1 mV or decrease from 2.3 to 2.1 mV when the distance between the two
parallel single-layered graphene or the area of single-layered graphene of the nano-channel increases
from 1 to 5 nm or from 1 to 25 nm2, respectively. Additionally, the influence of the system temperature
(viscosity) and average flow velocity on the flow-induced voltage is investigated.