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二端纳米分子桥的量子传输特性研究 被引量:3
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作者 王利光 李勇 +1 位作者 塚田捷 田上胜规 《黑龙江大学自然科学学报》 CAS 北大核心 2005年第1期8-11,共4页
利用基于GreenFunction的Tight-binding方法,对由两个苯环分子耦合成的二端子纳米分子桥的量子传导特性进行了理论研究,在考虑到每一个碳原子中只有一个π轨道电子参与传导,注意到分子桥体和原子电极之间的Hoping积分比较弱的情况下 (... 利用基于GreenFunction的Tight-binding方法,对由两个苯环分子耦合成的二端子纳米分子桥的量子传导特性进行了理论研究,在考虑到每一个碳原子中只有一个π轨道电子参与传导,注意到分子桥体和原子电极之间的Hoping积分比较弱的情况下 (约为普通值的 0 6),得出入射电子通过二端纳米分子桥的电子传输谱。结果显示透射电子传输峰值的出现是传导电子与分子轨道能级谐振的结果,而电子传输的振荡特性是透射电子粒子性与波动性同时存在时的物理反映。 展开更多
关键词 纳米分子桥 紧密键联结 量子传导 电子传输谱
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纳米分子器件的递归格林函数方法的研究 被引量:1
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作者 刘玉卫 周彦 林万杰 《科学技术与工程》 2008年第13期3593-3595,共3页
利用递归格林函数方法,对4,4,吡啶分子的量子传导特性进行了理论研究,得出了入射电子通过纳米分子桥的电子传输谱。结果显示透射电子传输峰值的出现是传导电子与分子轨道能级谐振的结果。
关键词 纳米分子桥 递归格林函数 纳米器件 电子传输谱
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4,4' 二硫基二苯醚分子导线Ⅰ-V特性的第一性原理研究
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作者 蔡本罗 周彦 《科学技术与工程》 2009年第17期5082-5084,共3页
利用第一性原理和非平衡格林函数的方法对4,4'二硫基二苯醚分子电输运特性的研究结果表明,电流随着外加电压的增加而增加。对于一个确定的电子传导通路,电子通过分子桥的概率与电子能量是紧密相关的。随着电子能量的变化,电子通过... 利用第一性原理和非平衡格林函数的方法对4,4'二硫基二苯醚分子电输运特性的研究结果表明,电流随着外加电压的增加而增加。对于一个确定的电子传导通路,电子通过分子桥的概率与电子能量是紧密相关的。随着电子能量的变化,电子通过分子桥的概率呈现震荡形式。 展开更多
关键词 密度泛函 非平衡格林函数 分子器件 电子传输谱
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Enhanced plasmonic photocatalysis by SiO_2@Bi microspheres with hot-electron transportation channels via Bi–O–Si linkages 被引量:5
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作者 倪紫琳 张文东 +6 位作者 蒋光明 王小平 鲁贞贞 孙艳娟 李欣蔚 张育新 董帆 《Chinese Journal of Catalysis》 EI CSCD 北大核心 2017年第7期1174-1183,共10页
The semimetal Bi has received increasing interest as an alternative to noble metals for use in plasmonic photocatalysis. To enhance the photocatalytic efficiency of metallic Bi, Bi microspheres modified by SiO2 nanopa... The semimetal Bi has received increasing interest as an alternative to noble metals for use in plasmonic photocatalysis. To enhance the photocatalytic efficiency of metallic Bi, Bi microspheres modified by SiO2 nanoparticles were fabricated by a facile method. Bi-O-Si bonds were formed between Bi and SiO2, and acted as a transportation channel for hot electrons. The SiO2@Bi microspheres exhibited an enhanced plasmon-mediated photocatalytic activity for the removal of NO in air under 280 nm light irradiation, as a result of the enlarged specific surface areas and the promotion of electron transfer via the Bi-O-Si bonds. The reaction mechanism of photocatalytic oxidation of NO by SiO2@Bi was revealed with electron spin resonance and in situ diffuse reflectance infrared Fourier transform spectroscopy experiments, and involved the chain reaction NO -> NO2 -> NO3- with center dot OH and center dot O-2(-) radicals as the main reactive species. The present work could provide new insights into the in-depth mechanistic understanding of Bi plasmonic photocatalysis and the design of high-performance Bi-based photocatalysts. (C) 2017, Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved. 展开更多
关键词 SiO2 @Bi metal Bi-O-Si bond Electron transfer In situ diffuse reflectance infrared Fourier transform spectroscopy Photocatalytic nitric oxide removal
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Interfacial stabilization for inverted perovskite solar cells with long-term stability 被引量:3
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作者 Wei Chen Bing Han +12 位作者 Qin Hu Meng Gu Yudong Zhu Wenqiang Yang Yecheng Zhou Deying Luo Fang-Zhou Liu Rui Cheng Rui Zhu Shien-Ping Feng Aleksandra B.Djurišić Thomas P.Russell Zhubing He 《Science Bulletin》 SCIE EI CSCD 2021年第10期991-1002,M0004,共13页
Perovskite solar cells(PSCs)commonly exhibit significant performance degradation due to ion migration through the top charge transport layer and ultimately metal electrode corrosion.Here,we demonstrate an interfacial ... Perovskite solar cells(PSCs)commonly exhibit significant performance degradation due to ion migration through the top charge transport layer and ultimately metal electrode corrosion.Here,we demonstrate an interfacial management strategy using a boron chloride subphthalocyanine(Cl_(6)SubPc)/fullerene electron-transport layer,which not only passivates the interfacial defects in the perovskite,but also suppresses halide diffusion as evidenced by multiple techniques,including visual element mapping by electron energy loss spectroscopy.As a result,we obtain inverted PSCs with an efficiency of 22.0%(21.3%certified),shelf life of 7000 h,T_(80) of 816 h under damp heat stress(compared to less than 20 h without Cl_(6)SubPc),and initial performance retention of 98%after 2000 h at 80℃in inert environment,90%after 2034 h of illumination and maximum power point tracking in ambient for encapsulated devices and 95%after 1272 h outdoor testing ISOS-O-1.Our strategy and results pave a new way to move PSCs forward to their potential commercialization solidly. 展开更多
关键词 Interfacial stabilization Inverted perovskite solar cells Long-term stability NIO Halide ions diffusion
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Decorating graphdiyne on ultrathin bismuth subcarbonate nanosheets to promote CO_(2)electroreduction to formate 被引量:4
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作者 Shang-Feng Tang Xiu-Li Lu +3 位作者 Chao Zhang Zhen-Wei Wei Rui Si Tong-Bu Lu 《Science Bulletin》 SCIE EI CSCD 2021年第15期1533-1541,M0003,M0004,共11页
Electrocatalytic reduction of CO_(2)is one of the most attractive approaches for converting CO_(2)into valuable chemical feedstocks and fuels.This work reports a catalyst comprising graphdiyne-decorated bismuth subcar... Electrocatalytic reduction of CO_(2)is one of the most attractive approaches for converting CO_(2)into valuable chemical feedstocks and fuels.This work reports a catalyst comprising graphdiyne-decorated bismuth subcarbonate(denoted as BOC@GDY)for efficient electroreduction of CO_(2)to formate.The BOC@GDY shows a stable current density of 200 mA cm^(-2)at–1.1 V in a flow cell configuration,with a faradaic efficiency of 93.5%for formate.Experimental results show that the synergistic effect in BOC@GDY is beneficial for the CO_(2)adsorption affinity,the reaction kinetics and the selectivity for formate.In addition,in-situ X-ray absorption and Raman spectroscopy indicate that the electron-rich GDY could facilitate the reduction from Bi(Ⅲ)to Bi(0),thus leading to more active sites.We also demonstrate that the promoting effect of GDY in CO_(2)electroreduction can be further extended to other metal catalysts.To the best of our knowledge,such general promoting functions of GDY for CO_(2)electroreduction have not been documented thus far. 展开更多
关键词 Graphdiyne Bismuth subcarbonate Two-dimensional electrocatalysts CO_(2)reduction FORMATE
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