Tunable Water Channels with Carbon Nanoscrolls

被引:110
作者
Shi, Xinghua [1 ]
Cheng, Yuan [2 ]
Pugno, Nicola M. [3 ]
Gao, Huajian [1 ]
机构
[1] Brown Univ, Div Engn, Providence, RI 02912 USA
[2] Inst High Performance Comp, Singapore 138632, Singapore
[3] Politecn Torino, Dept Struct Engn, I-10129 Turin, Italy
关键词
graphene; ion channels; molecular dynamics; nanostructures; water channels; PARTICLE MESH EWALD; TRANSPORT; NANOTUBES; DYNAMICS; CONDUCTION; ROUTE;
D O I
10.1002/smll.200902286
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Molecular dynamics simulations and theoretical analyses are performed to show that the flow rate of water through the core of carbon nanoscrolls (CNSs) can be adjusted over a broad range through the effective surface energy, which in turn can be tuned by an applied DC or AC electric field. The results suggest that the CNSs hold great promise for applications such as tunable water and ion channels, nanofluidic devices, and nanofilters, as well as tunable gene- and drug-delivery systems.
引用
收藏
页码:739 / 744
页数:6
相关论文
共 37 条
[1]   Hydrogen storage in carbon nanoscrolls: An atomistic molecular dynamics study [J].
Braga, S. F. ;
Coluci, V. R. ;
Baughman, R. H. ;
Galvao, D. S. .
CHEMICAL PHYSICS LETTERS, 2007, 441 (1-3) :78-82
[2]   Structure and dynamics of carbon nanoscrolls [J].
Braga, SF ;
Coluci, VR ;
Legoas, SB ;
Giro, R ;
Galvao, DS ;
Baughman, RH .
NANO LETTERS, 2004, 4 (05) :881-884
[3]   Canonical sampling through velocity rescaling [J].
Bussi, Giovanni ;
Donadio, Davide ;
Parrinello, Michele .
JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (01)
[4]   Structural and electronic study of nanoscrolls rolled up by a single graphene sheet [J].
Chen, Yu ;
Lu, Jing ;
Gao, Zhengxiang .
JOURNAL OF PHYSICAL CHEMISTRY C, 2007, 111 (04) :1625-1630
[5]   Prediction of the hydrogen storage capacity of carbon nanoscrolls [J].
Coluci, V. R. ;
Braga, S. F. ;
Baughman, R. H. ;
Galvao, D. S. .
PHYSICAL REVIEW B, 2007, 75 (12)
[6]   PARTICLE MESH EWALD - AN N.LOG(N) METHOD FOR EWALD SUMS IN LARGE SYSTEMS [J].
DARDEN, T ;
YORK, D ;
PEDERSEN, L .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (12) :10089-10092
[7]   A SMOOTH PARTICLE MESH EWALD METHOD [J].
ESSMANN, U ;
PERERA, L ;
BERKOWITZ, ML ;
DARDEN, T ;
LEE, H ;
PEDERSEN, LG .
JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (19) :8577-8593
[8]   Carbon nanotube assisted water self-diffusion across lipid membranes in the absence and presence of electric fields [J].
Garate, J. -A. ;
English, N. J. ;
MacElroy, J. M. D. .
MOLECULAR SIMULATION, 2009, 35 (1-2) :3-12
[9]   A charge-driven molecular water pump [J].
Gong, Xiaojing ;
Li, Jingyuan ;
Lu, Hangjun ;
Wan, Rongzheng ;
Li, Jichen ;
Hu, Jun ;
Fang, Haiping .
NATURE NANOTECHNOLOGY, 2007, 2 (11) :709-712
[10]   GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation [J].
Hess, Berk ;
Kutzner, Carsten ;
van der Spoel, David ;
Lindahl, Erik .
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2008, 4 (03) :435-447