Computer modeling study of the effect of hydration on the stability of a silica nanotube

被引：51

作者：

de Leeuw, NH

Du, ZM

Li, J

Yip, S

Zhu, T

机构：

[1] Univ London Birkbeck Coll, Birkbeck Coll, Sch Crystallog, London WC1E 7HX, England

[2] UCL, Dept Chem, London WC1H 0AJ, England

[3] Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA

[4] MIT, Dept Nucl Engn, Cambridge, MA 02139 USA

来源：

NANO LETTERS | 2003年 / 3卷 / 10期

基金：

英国工程与自然科学研究理事会;

关键词：

D O I：

10.1021/nl034480e

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Computer modeling techniques, which were employed to investigate the effect of water on the reactivity and stability of a SiO2 nanotube, show that the side of the nanotube is relatively resistant to dissociative chemisorption and silicon dissolution but that the end of the nanotube is highly reactive toward water and amenable to dissolution. This finding is important for modern applications of nanostructures in fields ranging from catalysis to controlled drug release.

引用

页码：1347 / 1352

页数：6

共 28 条

[21] First-principles molecular-dynamics study of the (0001) α-quartz surface
Rignanese, GM
De Vita, A
Charlier, JC
Gonze, X
Car, R
[J]. PHYSICAL REVIEW B, 2000, 61 (19): : 13250 - 13255
[22] INTERATOMIC POTENTIALS FOR SIO2
SANDERS, MJ
LESLIE, M
CATLOW, CRA
[J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1984, (19) : 1271 - 1273
[23] Atomistic simulation of zeolite surfaces
Slater, B
Titiloye, JO
Higgins, FM
Parker, SC
[J]. CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE, 2001, 5 (05) : 417 - 424
[24] THERMAL-STABILITY OF HYDROXYL-GROUPS ON A WELL-DEFINED SILICA SURFACE
SNEH, O
GEORGE, SM
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (13) : 4639 - 4647
[25] FORCE-FIELDS FOR SILICAS AND ALUMINOPHOSPHATES BASED ON ABINITIO CALCULATIONS
VANBEEST, BWH
KRAMER, GJ
VANSANTEN, RA
[J]. PHYSICAL REVIEW LETTERS, 1990, 64 (16) : 1955 - 1958
[26] Atomistic simulation of dislocations, surfaces and interfaces in MgO
Watson, GW
Kelsey, ET
deLeeuw, NH
Harris, DJ
Parker, SC
[J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1996, 92 (03): : 433 - 438
[27] Chemical vapor deposition of silica micro- and nanoribbons using step-edge localized water
Zach, MP
Newberg, JT
Sierra, L
Hemminger, JC
Penner, RM
[J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (23) : 5393 - 5397
[28] Synthesis, characterization, and manipulation of helical SiO2 nanosprings
Zhang, HF
Wang, CM
Buck, EC
Wang, LS
[J]. NANO LETTERS, 2003, 3 (05) : 577 - 580

← 1 2 3 →