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- 저자 : Yalong Yuan (검색결과 2 건)
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Yuan, Jianyu,Xu, Yalong,Shi, Guozheng,Ling, Xufeng,Ying, Lei,Huang, Fei,Lee, Tack Ho,Woo, Han Young,Kim, Jin Young,Cao, Yong,Ma, Wanli The Royal Society of Chemistry 2018 Journal of materials chemistry. A, Materials for e Vol.6 No.22
<P>In this contribution, we report the working mechanisms of several processing additives for controlling the morphology of four all-polymer systems. The optical and electrical properties, photovoltaic performance, morphology and the dynamic process of film formation of these all-polymer systems were thoroughly examined. We revealed that the effect of additives is largely dependent on the aggregation behaviors of the polymers used. Here, the polymer acceptors with large planar structures have stronger inter-chain interactions, which make their morphology more susceptible to additive treatment compared to the donors. 1,8-Di(R)octane (R = Cl, Br, and I) additives can be applied to multiple all-polymer devices with improved efficiency due to their general capability to increase the crystallinity and extend the effective time during the film formation. Interestingly, DBrO outperforms the widely used DIO, obtaining a highest efficiency of 8.23% for the PTzBI/P(NDI2OD-T2) based all-polymer solar cells, indicating finer morphology control by a subtle change of the additive structure. In contrast, the addition of chloronaphthalene (CN) can alleviate the inter-chain interaction of polymers to prevent the formation of oversized domains, which make it especially efficient for systems using strongly aggregated polymers like P(NDI2OD-T2). Our results provide insight into processing additives and suggest guidelines to rationally select additives for nonfullerene solar cells.</P>
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First-principles study of Ti doping in FeF3$0.33H2O
Zhenhua Yang,Zhijuan Zhang,Yalong Yuan,Yunqing Huang,Xianyou Wang,Xiaoying Chen,Shuangying Wei 한국물리학회 2016 Current Applied Physics Vol.16 No.8
The effect of Ti doping on the geometrical and electronic structures of FeF3$0.33H2O are systematically investigated by using the first principles calculations. We focused on TixFe1-xF3$0.33H2O systems, in which x is equal to 0, 0.08, 0.17 and 0.25, respectively. Different kinds of Ti dopant sites are checked and the most stable structure can be obtained by comparison of total energy. The crystal volume of TixFe1- xF3$0.33H2O expands gradually with increasing Ti doping concentration. Calculated formation energies indicate TixFe1-xF3 is easiest to fabricate and the difficulty of Ti doping FeF3 with hexagonal-tungstenbronze( HTB) structure decreases with the increase of Ti doping concentration under the Fe-rich and Ti-rich growth conditions. Moreover, TixFe1-xF3$0.33H2O is thermodynamically stable, indicating that water molecule can preferentially occupy one-dimensional cavity in the TixFe1-xF3. The band gap of TixFe1-xF3$0.33H2O decreases with increasing Ti doping concentration and Ti0.25Fe0.75F3$0.33H2O exhibits character of half metal, indicating that the conductivity of FeF3$0.33H2O can be improved by Ti-doping. Besides, it can be confirmed that Ti-doping also can broaden the hexagonal cavity in the FeF3$0.33H2O by analyzing the crystal structure of FeF3$0.33H2O and TixFe1-xF3$0.33H2O. With excellent conductivity and larger hexagonal cavity, TixFe1-xF3$0.33H2O can afford open diffusion channels. Therefore, Li ions can remain unblocked, which is beneficial to fast charge and discharge.
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