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Ming Qiu, Weiwei Pei, Qiuchen Lu, Zhuo Li, Yuanzuo Li and Jianping Liang
To improve the hole-transport ability and photoelectric properties of perovskite solar cells, the ground-state geometry, frontier molecular orbital, and mobility of two organic molecules were investigated using density functional theory (DFT) with the Ma...
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Dongpeng Zhao, Qiuchen Lu, Runzhou Su, Yuanzuo Li and Meiyu Zhao
The photovoltaic properties of two dyes (quercitin (Q) and rutin (R)) were experimentally investigated. The results showed that Q had excellent photoelectric properties with Jsc" role="presentation">??????Jsc
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of 5.480 mA·cm-2, Voc" role="presentat...
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Qian Liu, Nan Gao, Dejiang Liu, Jinglin Liu and Yuanzuo Li
A series of natural photoactive dyes, named as D1–D6 were successfully extracted from six kinds of plant leaves for solar cells. The photoelectrical properties of dyes were measured via UV-Vis absorption spectra, cyclic voltammetry as well as photo...
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Bella L. Grigorenko,Vladimir A. Mironov,Igor V. Polyakov,Alexander V. Nemukhin
Pág. 62 - 66
Quantum chemistry methods are applied to obtain numerical solutions of the Schr¨odinger equation for molecular systems. Calculations of transitions between electronic states of large molecules present one of the greatest challenges in this field which re...
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Jianmin Tao, Giovanni Vignale and Jian-Xin Zhu
The foundation of many approximations in time-dependent density functional theory (TDDFT) lies in the theory of the homogeneous electron gas. However, unlike the ground-state DFT, in which the exchange-correlation potential of the homogeneous electron ga...
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Mark P. Heitz, Kristina L. Fuller and Kaitlin A. Ordiway
We present steady-state and time-resolved fluorescence spectroscopic data derived from coumarin 153 (C153) in a binary solution comprised of trihexyltetradecylphosphonium chloride ([P6,6,6,14]+Cl-) and supercritical CO2 (scCO2). Steady-state fluorescence...
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