A first-principles computational method is developed to study the inelastic electron tunnelling spectroscopy （IETS） of 4,4＇-biphenyldithiol molecular junction with three different contact structures between the mol...A first-principles computational method is developed to study the inelastic electron tunnelling spectroscopy （IETS） of 4,4＇-biphenyldithiol molecular junction with three different contact structures between the molecule and electrodes in the nonresonant regime. The obtained distinct IETS can be used to resolve the geometrical structure of the molecular junction. The computational results demonstrate that the IETS has certain selection rule for vibrational modes, where the longitudinal modes with the same direction as the tunnelling current have greatest contribution to the IETS. The thermal effect on the IETS is also displayed.展开更多
In LiNbO3：Fe, anomalous behaviour of grating erasure is observed with different wavelengths, i.e. rapid grating erasure in the short wavelength range, which deviates from the results predicted by the electron transpo...In LiNbO3：Fe, anomalous behaviour of grating erasure is observed with different wavelengths, i.e. rapid grating erasure in the short wavelength range, which deviates from the results predicted by the electron transport band model. The deviation is related to the coexistence of electrons and holes in photorefraction, and charge-transfer process including electrons and hole has been proposed. The electron and hole contributions to photoconductivity have been identified by experiments. We also give the theoretical dependence of electron photo-excitation coefficient S of the Fe centre on the wavelength.展开更多
Polymer photovoltaic devices based on poly（3-hexylthiophene） （P3HT） ： [6,6]-phenyl-C61-butyricacid methyl ester （PCBM） 1：1 weight-ratio blend are reported. The effects of various annealing treatments on the de...Polymer photovoltaic devices based on poly（3-hexylthiophene） （P3HT） ： [6,6]-phenyl-C61-butyricacid methyl ester （PCBM） 1：1 weight-ratio blend are reported. The effects of various annealing treatments on the device performance are investigated. Thermal annealing shows significant improvement of the device performances. For devices at 130℃ annealing, maximum power conversion efficiency （PCE） of 3.3% and All factor up to 60.3% is achieved under air mass 1.5, 100 m W/cm^2 illumination. We discuss the effect of thermal annealing by the results of ultraviolet-visible absorption spectroscopy （UV-vis）, dark current-voltage curve, atomic force microscopy （AFM）.展开更多
基金Supported by the National Natural Science Foundation of China under Grant No 10674084, and the Swedish International Development Agency （SIDA） We thank Professor Yi Luo, KTH, Sweden for fruitful discussion.
文摘A first-principles computational method is developed to study the inelastic electron tunnelling spectroscopy （IETS） of 4,4＇-biphenyldithiol molecular junction with three different contact structures between the molecule and electrodes in the nonresonant regime. The obtained distinct IETS can be used to resolve the geometrical structure of the molecular junction. The computational results demonstrate that the IETS has certain selection rule for vibrational modes, where the longitudinal modes with the same direction as the tunnelling current have greatest contribution to the IETS. The thermal effect on the IETS is also displayed.
基金Supported by the Important Pre-research Project of the Ministry of Science and Technology of China under Grant No 2002CCA03500, and the National Natural Science Foundation of China under Grant No 60177016.
文摘In LiNbO3：Fe, anomalous behaviour of grating erasure is observed with different wavelengths, i.e. rapid grating erasure in the short wavelength range, which deviates from the results predicted by the electron transport band model. The deviation is related to the coexistence of electrons and holes in photorefraction, and charge-transfer process including electrons and hole has been proposed. The electron and hole contributions to photoconductivity have been identified by experiments. We also give the theoretical dependence of electron photo-excitation coefficient S of the Fe centre on the wavelength.
基金Supported by the National Basic Research Programme of China under Grant No 2002CB613405, and the National Natural Science Foundation of China under Grant Nos 50573024 and 50433030, the Key Project of the Ministry of Education of China （104208）, and the Natural Science Foundation of South China University of Technology （E5040910）.
文摘Polymer photovoltaic devices based on poly（3-hexylthiophene） （P3HT） ： [6,6]-phenyl-C61-butyricacid methyl ester （PCBM） 1：1 weight-ratio blend are reported. The effects of various annealing treatments on the device performance are investigated. Thermal annealing shows significant improvement of the device performances. For devices at 130℃ annealing, maximum power conversion efficiency （PCE） of 3.3% and All factor up to 60.3% is achieved under air mass 1.5, 100 m W/cm^2 illumination. We discuss the effect of thermal annealing by the results of ultraviolet-visible absorption spectroscopy （UV-vis）, dark current-voltage curve, atomic force microscopy （AFM）.
