TY - JOUR
T1 - A structural model of one-dimensional thin silica nanowires
AU - Zhang, D. J.
AU - Zhang, R. Q.
PY - 2004/8/21
Y1 - 2004/8/21
N2 - We report a new structural model of silica molecular wire based on spiro union two-membered ring (SU-2MR) units. As revealed by density functional calculations, the SU-2MR wire is formed by parallel 2MRs bridged by oxygen atoms and is energetically more favorable, thermally more stable and chemically more reactive at the tip than the edge-sharing two-membered ring molecular chain proposed early. The SU-2MR molecular chain would be considered as an appropriate structural model of one-dimensional thin (0.4 nm) silica nanowires. © 2004 Elsevier B.V. All rights reserved.
AB - We report a new structural model of silica molecular wire based on spiro union two-membered ring (SU-2MR) units. As revealed by density functional calculations, the SU-2MR wire is formed by parallel 2MRs bridged by oxygen atoms and is energetically more favorable, thermally more stable and chemically more reactive at the tip than the edge-sharing two-membered ring molecular chain proposed early. The SU-2MR molecular chain would be considered as an appropriate structural model of one-dimensional thin (0.4 nm) silica nanowires. © 2004 Elsevier B.V. All rights reserved.
UR - http://www.scopus.com/inward/record.url?scp=4143086210&partnerID=8YFLogxK
UR - https://www.scopus.com/record/pubmetrics.uri?eid=2-s2.0-4143086210&origin=recordpage
U2 - 10.1016/j.cplett.2004.07.041
DO - 10.1016/j.cplett.2004.07.041
M3 - RGC 21 - Publication in refereed journal
SN - 0009-2614
VL - 394
SP - 437
EP - 440
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4-6
ER -