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Neeraj Tomar, Geeta Rani, Vijaypal Singh Dhaka, Praveen K. Surolia, Kalpit Gupta, Eugenio Vocaturo and Ester Zumpano
The exponentially growing energy requirements and, in turn, extensive depletion of non-restorable sources of energy are a major cause of concern. Restorable energy sources such as solar cells can be used as an alternative. However, their low efficiency i...
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Joshua Mann, Gerard Lawler and James Rosenzweig
Electron rescattering has been well studied and simulated for cases with ponderomotive energies of the quasi-free electrons, derived from laser?gas and laser?surface interactions, lower than 50 eV. However, with advents in longer wavelengths and laser fi...
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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
J
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c
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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Xiao-Yin Pan and Viraht Sahni
Dissipative effects arise in an electronic system when it interacts with a time-dependent environment. Here, the Schrödinger theory of electrons in an electromagnetic field including dissipative effects is described from a new perspective. Dissipation is...
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Volodymyr Turkowski, Naseem Ud Din and Talat S. Rahman
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Young-Moo Byun and Carsten A. Ullrich
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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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