Photoluminescence from mesoporous silica akin to that from nanoscale silicon: the nature of light-emitters

被引:41
作者
Glinka, YD
Zyubin, AS
Mebel, AM
Lin, SH
Hwang, LP
Chen, YT
机构
[1] Acad Sinica, Inst Atom & Mol Sci, Taipei 10764, Taiwan
[2] Natl Acad Sci Ukraine, Inst Surface Chem, UA-252650 Kiev, Ukraine
[3] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA
[4] Russian Acad Sci, Inst Chem Phys, Chernogolovka 142432, Moscow Region, Russia
关键词
D O I
10.1016/S0009-2614(02)00400-1
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Photoluminescence (PL) from mesoporous silica is evidenced to originate from non-bridging oxygens (NBOs) located inside similar to1 nm pore walls and on the pore internal surfaces. Based on density functional calculations, we showed that the PL band diversity in the range of 1.0-2.1 eV results from both isolated bulk and surface NBOs and those combined with variously placed pore wall oxygen vacancies. The spectroscopic features are found to be similar to those of surface-oxidized silicon nanocrystals and porous silicon. The results obtained are expected to be useful to clarify the nature of light-emitters in silicon nanoscale materials. (C) 2002 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:180 / 186
页数:7
相关论文
共 33 条
[1]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[2]   ELECTRONIC SPECTROSCOPY AND PHOTOPHYSICS OF SI NANOCRYSTALS - RELATIONSHIP TO BULK C-SI AND POROUS SI [J].
BRUS, LE ;
SZAJOWSKI, PF ;
WILSON, WL ;
HARRIS, TD ;
SCHUPPLER, S ;
CITRIN, PH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (10) :2915-2922
[3]   SILICON QUANTUM WIRE ARRAY FABRICATION BY ELECTROCHEMICAL AND CHEMICAL DISSOLUTION OF WAFERS [J].
CANHAM, LT .
APPLIED PHYSICS LETTERS, 1990, 57 (10) :1046-1048
[4]   Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold [J].
Casida, ME ;
Jamorski, C ;
Casida, KC ;
Salahub, DR .
JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (11) :4439-4449
[5]   Two-membered silicon rings on the dehydroxylated surface of silica [J].
Ceresoli, D ;
Bernasconi, M ;
Iarlori, S ;
Parrinello, M ;
Tosatti, E .
PHYSICAL REVIEW LETTERS, 2000, 84 (17) :3887-3890
[6]   PHOTOLUMINESCENCE FROM POROUS SILICON BY INFRARED MULTIPHOTON EXCITATION [J].
CHIN, RP ;
SHEN, YR ;
PETROVAKOCH, V .
SCIENCE, 1995, 270 (5237) :776-778
[7]   SiOx luminescence from light-emitting porous silicon: Support for the quantum confinement luminescence center model [J].
Cooke, DW ;
Bennett, BL ;
Farnum, EH ;
Hults, WL ;
Sickafus, KE ;
Smith, JF ;
Smith, JL ;
Taylor, TN ;
Tiwari, P ;
Portis, AM .
APPLIED PHYSICS LETTERS, 1996, 68 (12) :1663-1665
[8]   The structural and luminescence properties of porous silicon [J].
Cullis, AG ;
Canham, LT ;
Calcott, PDJ .
JOURNAL OF APPLIED PHYSICS, 1997, 82 (03) :909-965
[9]   A new ONIOM implementation in Gaussian98.: Part I.: The calculation of energies, gradients, vibrational frequencies and electric field derivatives [J].
Dapprich, S ;
Komáromi, I ;
Byun, KS ;
Morokuma, K ;
Frisch, MJ .
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 461 :1-21
[10]  
Frisch M.J., 2016, Gaussian 16 Revision C. 01. 2016, V16, P01