Cluster models 0of SnO2(110) face and oxygen vacancies and oxygen adsorption on its surface have been calculated by EHMO method. The results show that a tin atom.with a coordination number of four is the adsorption ce...Cluster models 0of SnO2(110) face and oxygen vacancies and oxygen adsorption on its surface have been calculated by EHMO method. The results show that a tin atom.with a coordination number of four is the adsorption center, because the total energy of cluster model becomes lower when an oxygen atom adsorpts on the tin atom with a coordination number of four. The tin atom with this coordination number gains and loses electrons more easily than tin atoms with a coordination number of five. All tin atoms in the cluster of SnO2(110) face are Sn4+.展开更多
The work function （WF） of indium-tin-oxide （ITO） substrates plays an important role on the inverted organic photovoltaic device performance. And electrode engineering has been a useful method to facilitate carrier...The work function （WF） of indium-tin-oxide （ITO） substrates plays an important role on the inverted organic photovoltaic device performance. And electrode engineering has been a useful method to facilitate carrier extraction or charge collection to enhance organic photovoltaic （OPV） performance. By using self-assembly technique, we have deposited poly（dimethyl diallylammonium chloride） （PDDA） layers onto ITO coated glass substrates. The results indicate that the surface WF of ITO is reduced by about 0.3 eV after PDDA modification, which is attributed to the modulation in electron affinity. In addition, the surface roughness of ITO substrate became smaller after PDDA modification. These modified ITO substrates can be applied to fabricate inverted OPVs, in which ITO works as the cathode to collect electrons. As a result, the photovoltaic performance of inverted OPV is substantially improved, mainly reflecting on the increase of short circuit current density.展开更多
文摘Cluster models 0of SnO2(110) face and oxygen vacancies and oxygen adsorption on its surface have been calculated by EHMO method. The results show that a tin atom.with a coordination number of four is the adsorption center, because the total energy of cluster model becomes lower when an oxygen atom adsorpts on the tin atom with a coordination number of four. The tin atom with this coordination number gains and loses electrons more easily than tin atoms with a coordination number of five. All tin atoms in the cluster of SnO2(110) face are Sn4+.
文摘The work function （WF） of indium-tin-oxide （ITO） substrates plays an important role on the inverted organic photovoltaic device performance. And electrode engineering has been a useful method to facilitate carrier extraction or charge collection to enhance organic photovoltaic （OPV） performance. By using self-assembly technique, we have deposited poly（dimethyl diallylammonium chloride） （PDDA） layers onto ITO coated glass substrates. The results indicate that the surface WF of ITO is reduced by about 0.3 eV after PDDA modification, which is attributed to the modulation in electron affinity. In addition, the surface roughness of ITO substrate became smaller after PDDA modification. These modified ITO substrates can be applied to fabricate inverted OPVs, in which ITO works as the cathode to collect electrons. As a result, the photovoltaic performance of inverted OPV is substantially improved, mainly reflecting on the increase of short circuit current density.
