Trajectory simulations are carried out for vibrationally assisted adsorption of H_(2)on Cu(100)surface.The potential-energy surfaces for H_(2)approaching the copper surface in any molecular orientation are obtained by...Trajectory simulations are carried out for vibrationally assisted adsorption of H_(2)on Cu(100)surface.The potential-energy surfaces for H_(2)approaching the copper surface in any molecular orientation are obtained by using the embedded-atom method.It is clearly shown that the vibrational energy of incident H_(2)greatly promotes the dissociation by assisting H_(2)to surmount the activation barrier at the reaction zone.The dependence of initial sticking coefficient S0 for H_(2)activated adsorption on Cu(100)surface on the normal incident translational energy EN has been calculated.The different contributions from H_(2)(v=0)and H_(2)(vn=1)to the sticking probability of H_(2)molecular beam adsorption on Cu(100)are investigated.The results are in well agreement with the experimental observations and other theoretical calculations.展开更多
The transient photoluminescence(PL)of DO-PPV(poly-(2,5-dioctyloxy-1,4-phenylene vinylene))solution in chloroform was investigated by picosecond time-resolved PL spectroscopy.An ultrafast rise of PL and the following s...The transient photoluminescence(PL)of DO-PPV(poly-(2,5-dioctyloxy-1,4-phenylene vinylene))solution in chloroform was investigated by picosecond time-resolved PL spectroscopy.An ultrafast rise of PL and the following single exponential decay with a time constant about 400ps were assigned to the formation of intrachain exciton and its decay process,respectively.The redshift of the PL emission spectrum with time was caused by the subsequent exciton migration among the different conjugated segments in the DO-PPV polymer.展开更多
Organic photovoltaic （OPV） cells were fabricated via vacuum vapor deposition with {4-[2-（3-di-cyanomethylidene-5,5-dimethylcyclohexenyl）vinyl]phenyl}di（1-naphthyl）amine （DNP-2CN） as the electron donor, and ful...Organic photovoltaic （OPV） cells were fabricated via vacuum vapor deposition with {4-[2-（3-di-cyanomethylidene-5,5-dimethylcyclohexenyl）vinyl]phenyl}di（1-naphthyl）amine （DNP-2CN） as the electron donor, and fullerene （C60） as the electron acceptor. A thin film （10 nm） of tris（8-quinolinolato）aluminum （Alq3） was adopted as the buffer layer. A device based on this DNP-2CN exhibited an open circuit voltage （Voc） of 370 mV, a short-circuit current density （Jsc） of 0.61 mAocm 2, and a white-light power conversion efficiency （ η） of 0.09% （AM1.5, 75 mW.cm^- 2）.展开更多
文摘Trajectory simulations are carried out for vibrationally assisted adsorption of H_(2)on Cu(100)surface.The potential-energy surfaces for H_(2)approaching the copper surface in any molecular orientation are obtained by using the embedded-atom method.It is clearly shown that the vibrational energy of incident H_(2)greatly promotes the dissociation by assisting H_(2)to surmount the activation barrier at the reaction zone.The dependence of initial sticking coefficient S0 for H_(2)activated adsorption on Cu(100)surface on the normal incident translational energy EN has been calculated.The different contributions from H_(2)(v=0)and H_(2)(vn=1)to the sticking probability of H_(2)molecular beam adsorption on Cu(100)are investigated.The results are in well agreement with the experimental observations and other theoretical calculations.
基金Supported by the National Natural Science Foundation of China under Grant No.69977008.
文摘The transient photoluminescence(PL)of DO-PPV(poly-(2,5-dioctyloxy-1,4-phenylene vinylene))solution in chloroform was investigated by picosecond time-resolved PL spectroscopy.An ultrafast rise of PL and the following single exponential decay with a time constant about 400ps were assigned to the formation of intrachain exciton and its decay process,respectively.The redshift of the PL emission spectrum with time was caused by the subsequent exciton migration among the different conjugated segments in the DO-PPV polymer.
文摘Organic photovoltaic （OPV） cells were fabricated via vacuum vapor deposition with {4-[2-（3-di-cyanomethylidene-5,5-dimethylcyclohexenyl）vinyl]phenyl}di（1-naphthyl）amine （DNP-2CN） as the electron donor, and fullerene （C60） as the electron acceptor. A thin film （10 nm） of tris（8-quinolinolato）aluminum （Alq3） was adopted as the buffer layer. A device based on this DNP-2CN exhibited an open circuit voltage （Voc） of 370 mV, a short-circuit current density （Jsc） of 0.61 mAocm 2, and a white-light power conversion efficiency （ η） of 0.09% （AM1.5, 75 mW.cm^- 2）.
