Universal role of oxygen in full-visible-region photoluminescence of diamond nanocrystals
Universal role of oxygen in full-visible-region photoluminescence of diamond nanocrystals
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氧在金刚石纳米晶体全可见区光致发光中的普遍作用
DOI：
10.1016/j.carbon.2016.07.067
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发表时间：
2016-11
期刊：
影响因子：
10.9
通讯作者：
Fan Jiyang
中科院分区：
文献类型：
--
作者：
Zhang Wenxia;Niu Xianghong;Chen Xifang;Guo Xiaoxiao;Wang Jinlan;Fan Jiyang
碳纳米晶体（NC）表现出非常复杂的发光和潜在的机制仍然是一个谜和高度争论。在此，我们研究了湿化学法合成的金刚石纳米晶的发光特性，观察到了在整个可见光区同时出现多带发光的奇特现象。结合密度泛函理论计算的表面结构和发光的调查揭示了富有成效的氧相关的表面缺陷，在这些金刚石NC，和这样的缺陷，导致观察到的发光的带隙中创建各自的能级。计算表明，这些表面陷阱具有定域或离域的分子轨道，并且酰胺封端的金刚石NC的最高占据和最低未占据分子轨道之间的显著空间重叠导致极大的辐射衰减速率以及前所未有的50.4%的高量子产率，与氧封端的金刚石NC中通常较低的2.5-5.0%的量子产率形成强烈对比。结果表明，这些表面缺陷是普遍存在的，它们在各种（石墨，金刚石和C8）碳以及SiC和C3 N4 NC的大家族的发光中起重要作用。
Carbon nanocrystals (NCs) exhibit very intricate luminescence and the underlying mechanism remains a mystery and highly debated. Herein we study the luminescence properties of the wet chemistry-derived diamond NCs and observe peculiar phenomenon of concurrent multiband luminescence across the whole visible region in them. The surface structural and luminescence investigation in conjunction with density functional theory calculation reveal fruitful oxygen-related surface defects in these diamond NCs, and such defects create respective energy levels in the band gap leading to observed luminescences. The calculation shows that these surface traps have either localized or delocalized molecular orbitals, and significant spatial overlap between the highest occupied and lowest unoccupied molecular orbitals of amide-terminated diamond NCs leads to extremely large radiative decay rate as well as unprecedented high quantum yield of 50.4%, in strong contrast with usually low quantum yield of 2.5–5.0% in oxygen-terminated diamond NCs. The result indicates these surface defects are popular and they play important roles in luminescence of the large family of various (graphite, diamond, and C8) carbon as well as SiC and C3N4NCs.
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SiC量子点发光表面缺陷的识别
影响因子：
4
作者：
Dai, Dejian;Guo, Xiaoxiao;Fan, Jiyang
通讯作者：
Fan, Jiyang
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影响因子：
29.4
作者：
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Wang, Pengfei
影响因子：
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作者：
C. F. Guerra;J. G. Snijders;G. T. Velde;E. Baerends
通讯作者：
C. F. Guerra;J. G. Snijders;G. T. Velde;E. Baerends
影响因子：
13.3
作者：
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通讯作者：
Chu, Paul K.
DOI：
10.1002/pola.1989.080270811
发表时间：
1989-07
期刊：
Journal of Polymer Science Part A
影响因子：
--
作者：
K. Wagener;C. Batich;B. Kirsch;S. Wanigatunga
通讯作者：
K. Wagener;C. Batich;B. Kirsch;S. Wanigatunga