Fabrication of Cu2ZnSn(SxSe1−x)4 thin film solar cell by single step sulfo-selenization of stacked metallic precursors

We have synthesized an efficient Cu₂ZnSn(S_xSe_1−x)₄ (CZTSSe) absorbers by using single-step rapid thermal sulfo-selenization process of sputtered stack metallic precursor (Zn/Sn/Cu) films. The structural and morphological studies confirm that the suitability of the rapid thermal sulfo-selenization process for the synthesis of a CZTSSe absorber without any secondary phases with large grains. The annealing atmosphere with a mixed-chalcogen source enhances the grain growth of the CZTSSe absorber as compared with pure Cu₂ZnSnS₄ (CZTS) and Cu₂ZnSnSe₄ (CZTSe) absorbers. The CZTSSe thin film solar cell shows the best conversion efficiency of ∼7%.     

Long‐Distance Electronic Energy Transfer in Light‐Harvesting Supramolecular Polymers

The efficient collection of solar energy relies on the design and construction of well‐organized light‐harvesting systems. Herein we report that supramolecular phenanthrene polymers doped with pyrene are effective collectors of light energy. The linear polymers are formed through the assembly of short amphiphilic oligomers in water. Absorption of light by phenanthrene residues is followed by electronic energy transfer along the polymer over long distances (>100 nm) to the accepting pyrene molecules. The high efficiency of the energy transfer, which is documented by large fluorescence quantum yields, suggests a quantum coherent process.     

Effects of Edge Oxidation on the Stability and Half‐Metallicity of Graphene Quantum Dots

A comprehensive first‐principles theoretical study of the electronic properties and half‐metallic nature of zigzag edge‐oxidized graphene quantum dots (GQDs) is carried out by using density functional theory (DFT) with the screened exchange hybrid functional of Heyd, Scuseria and Ernzerhof (HSE06). The oxidation schemes include ‐OH, ‐COOH and ‐COO groups. We identify oxidized GQDs whose opposite spins are localized at the two zigzag edges in an antiferromagnetic‐type configuration, showing a spin‐polarized ground state. Oxidized GQDs are more stable than the corresponding fully hydrogenated GQDs. The partially hydroxylated and carboxylated GQDs with the same size exhibit half‐metallic state under almost the same electric‐field intensity whereas fully oxidized GQDs behave as spin‐selective semiconductors. The electric‐field intensity inducing the half metal increases with the length of the partially oxidized GQDs, ranging from M=4 to 7.     

一种天线分子与卟啉染料自组装在染料敏化太阳能电池中的应用

以卟啉分子H2-pTCPP作为基础染料,通过配位自组装的方法将天线分子S3修饰到染料结构中。结果表明经天线分子修饰后染料敏化太阳能电池器件的整体性能得到了极大的改善。天线效应有效地提高了器件的光子捕获能力,光电流得到了显著的提高,并且电荷复合行为也得到了明显的抑制。基于H2-pTCPP的电池器件显示了1.18%的转换效率,而经过天线分子修饰后的Mn-pTCPP+S3显示了2.64%的转换效率,性能提高了1.2倍。     

Artificial,molecular-based light-harvesting antenna systems made of metal dendrimers and multibodipy species

Artificial photosynthesis is expected to include the development of light-harvesting antenna systems, similarly to what Natural Photosynthesis does. Here some basic requirements for designing synthetic light-harvesting antennae are presented, together with the results obtained by our team in the last few decades on light-harvesting antennae based on metal dendrimers or made of multibodipy species.     

Superconducting state parameters of La<Subscript>100-<Emphasis Type="Italic">C</Emphasis></Subscript>Ga<Subscript><Emphasis Type="Italic">C</Emphasis></Subscript> binary metallic glasses

The theoretical investigations of the superconducting state parameters (SSP) viz. electron-phonon coupling strength λ, Coulomb pseudopotential μ*, transition temperature T _C , isotope effect exponent α and effective interaction strength N _O V of six binary La_100-C Ga _C (C = 16, 20, 22, 24, 26 and 28 at. %) metallic glasses have been reported using Ashcroft’s empty core (EMC) model potential for the first time. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used in the present investigation to study the screening influence on the aforesaid properties. It is observed that the electron-phonon coupling strength λ and the transition temperature T _C are quite sensitive to the selection of the local field correction functions, whereas the Coulomb pseudopotential μ*, isotope effect exponent α and effective interaction strength N _O V show weak dependences on the local field correction functions. The T _C obtained from H-local field correction function are found in qualitative agreement with available experimental data and show almost linear nature with the concentration (C) of ‘Ga’ element. A linear T _C equation is proposed by fitting the present outcomes for H-local field correction function, which is in conformity with other results for the experimental data. Also, the present results are found to be in qualitative agreement with other such earlier reported data, which confirms the superconducting phase in the metallic glasses.      

Pd-Si binary bulk metallic glass

Pd_80+x Si_20−x (x = 0, 1, and 2) binary metallic glasses with the diameter ranging from 7 to 8 mm were prepared by a combination of fluxing and water quenching or air cooling. Thermal analysis results show that with increasing Si content, the glass transition temperature T _g, the initial crystallization temperature T _x and the onset crystallization temperature T _p of Pd-Si binary glassy alloys increase. Moreover, the supercooled liquid region reaches 61 K. It indicates that Pd-Si binary alloys possess large glass forming ability, which can be greatly improved by fluxing treatment. Supported by the National Basic Research Program of China (Grant No. 2007CB613905) and the National Natural Science Foundation of China (Grant Nos. 50671050 and 50431030)     

Superconducting state parameters of binary metallic glasses

Ashcroft’s empty core (EMC) model potential is used to study the superconducting state parameters (SSPs) viz. electron-phonon coupling strength λ, Coulomb pseudopotential μ*, transition temperature T _C , isotope effect exponent αand effective interaction strength N _O V of some binary metallic glasses based on the superconducting (S), conditional superconducting (S’) and non-superconducting (NS) elements of the periodic table. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used for the first time with EMC potential in the present investigation to study the screening influence on the aforesaid properties. The T _C obtained from the H-local field correction function are in excellent agreement with available theoretical or experimental data. In the present computation, the use of the pseudo-alloy-atom model (PAA) was proposed and found successful. Present work results are in qualitative agreement with such earlier reported experimental values which confirm the superconducting phase in all metallic glasses. A strong dependency of the SSPs of the metallic glasses on the valence ‘Z’ is identified.      

Tetrachloroferrate (III) Salts of BDH-TTP [2,5-Bis(1,3-dithiolan-2-ylidene)-1,3,4,6-tetrathiapentalene] and BDA-TTP [2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene]: Crystal Structures and Physical Properties

Three FeCl₄ salts based on non-tetrathiafulvalene (TTF) donors, 2,5-bis(1,3-dithiolan-2-ylidene)-1,3,4,6-tetrathiapentalene (BDH-TTP) and 2,5-bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene (BDA-TTP), have been prepared and characterized as κ-(BDH-TTP)₂FeCl₄, β-(BDA-TTP)₂FeCl₄, and (BDA-TTP)₃FeCl₄ · PhCl. The κ-(BDH-TTP)₂FeCl₄ salt, with a room-temperature conductivity (σ_rt) of 39 S cm⁻¹, is metallic down to 1.5 K, and its magnetic susceptibility obeys the Curie-Weiss law with a Curie constant (C) of 4.25 emu K mol⁻¹ and a Weiss constant (θ) of 0.041 K. β-(BDA-TTP)₂FeCl₄ exhibits metallic behavior (σ_rt=9.4 S cm⁻¹) with a sharp metal-to-insulator (MI) transition (T_MI=113 K) and antiferromagnetic ordering with the Néel temperature of near 8.5 K, whereas the solvated (BDA-TTP)₃FeCl₄ · PhCl salt is a semiconductor with a thermal activation energy of 0.11 eV (σ_rt=2.0× 10⁻² S cm⁻¹) and exhibits Curie-Weiss behavior (C=4.42 emu K mol⁻¹, θ=−0.35 K).