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RUSSIAN JOURNAL OF COORDINATION CHEMISTRY · 2018 ·Vol. 44 ·期 7 ·454-459 · IF 0.674

Reactivity of Two 16e Half-Sandwich Cobalt Complexes Containing 1,2-Dicarba-closo-Dodecaborane-1,2-Dichalcogenolate (E2C2B10H10)2– (E = S, Se) Units toward Triphenylphosphine

Ye H. D.,Zhan Y. L.,Liang J.,Ye T. Y.,Zhang D.,Peng H. N.,Hu J. R.

Treatment of o -carborane, n -butyllithium, sulfur (or selenium) and MeCpCo(CO)I 2 (or Cp*Co(CO)I 2 ) (Cp* = pentamethylcyclopentadienyl) under argon leads to half-sandwich carborane complex MeCpCo(S 2 C 2 B 10 H 10 ) (I) (or Cp*Co(Se 2 C 2 B 10 H 10 ) ( II )). Complex I reacts with triphenylphosphine to afford addition product MeCpCo(S 2 C 2 B 10 H 10 )(PPh 3 ) ( III ). However, II does not react with triphenylphosphine. Complexes II and III have been characterized by elemental analysis, mass, NMR spectroscopy, IR and X-ray structural analyses (CIF files CCDC nos. 1571705 ( II ) and 1571706 ( III )).

CAS / MDL: 603-35-0
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ADVANCED FUNCTIONAL MATERIALS · 2022 ·Vol. 33 ·期 3 ·2210551 · IF 19.924

Two-Step Cooling Strategy for Synergistic Control of CuZn and SnZn Defects Enabling 12.87% Efficiency (Ag,Cu)2ZnSn(S,Se)4 Solar Cells

Hang Geng,Mengyang Wang,Songfan Wang,Dongxing Kou,Zhengji Zhou,Wenhui Zhou,Yafang Qi,Shengjie Yuan,Litao Han,Yuena Meng,Sixin Wu

Abundant intrinsic defects and defect clusters in Cu 2 ZnSn(S,Se) 4 (CZTSSe) solar cells lead to severe nonradiative recombination and limited photoelectric performance. Therefore, developing effective method to suppress the detrimental defects is the key to achieve high-efficiency solar cell. Herein, a convenient two-step cooling strategy in selenization process is reported to suppress the Cu Zn and Sn Zn defects and defect clusters synergistically. The results show that rapid cooling during section from selenization temperature to turning temperature can inhibit the volatilization of Sn and restrain the corresponding Sn-related defects, while slow cooling during the subsequent temperature section can reduce the degree of Cu-Zn disorder. Benefitting from the synergistic effect of two-step cooling, a significantly lowered concentration of Sn Zn and Cu Zn defect and their defect clusters [2Cu Zn +Sn Zn ] in absorber is observed, meanwhile, a reduced band tailing effect and promoted carrier collection efficiency of the photovoltaic device is obtained. Finally, a device with improved open-circuit voltage ( V oc ) of 505.5 mV and efficiency of 12.87% is achieved. This study demonstrates the impact of cooling process on defects controlling for the first time and provides a simple and effective new strategy for intrinsic defect control, which may be universal in other inorganic thin film solar cells.

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SEMICONDUCTOR SCIENCE AND TECHNOLOGY · 2025 ·Vol. 40 ·期 3 ·035006 · IF 2.1

Improving the quality of back contact interface in Cu2ZnSn(S,Se)4 solar cells by inserting a thin Mg(OH)2 intermediate layer

Xingyu Zhang,Lingling Wang,Yawei Wang,Xiangyang Zhao,Rong Fang,Rui Guo,Yue Zhou,Xintong Zhang,Yichun Liu

Modifying the back contact interface plays a key role in improving the efficiency of Cu2ZnSn(S,Se)4 (CZTSSe) solar cells. Aiming at the phase decomposition and carrier recombination issues in the CZTSSe/Mo back contact interface, an ultra-thin Mg(OH)2 intermediate layer was introduced between the Mo substrate and the CZTSSe absorber layer. The Mg(OH)2 intermediate layer effectively suppressed the interface phase decomposition reactions and inhibited the generation of interface secondary phases. Meanwhile, during the high-temperature selenization process, the Mg2+ doped into CZTSSe at the back contact interface, reducing the defects and band offset at the CZTSSe/Mo interface. The performance of the device was improved, with a significant increase in efficiency compared to the control device. This work highlights the modification effect of Mg(OH)2 for improving back contact and also provides an easy-handling method to achieve high-performance CZTSSe solar cells.

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ChemSusChem · 2025 · IF 6.6

Solvent Engineering-Enabled Surface Defect Passivation in Cu2ZnSn(S,Se)4 Solar Cells with Low Open-Circuit Voltage Losses and Improved Carrier Lifetime

Umar Farooq,Boyang Han,Usman Ali Shah,Fa Yang,Sheng Li,Yanping Song,Ali Hassan,Zhengquan Li,Jin Wang

The efficiency of earth-abundant kesterite Cu2ZnSn(S,Se)4 (CZTSSe) solar cells has been lagging behind the Shockley-Queisser limit primarily due to the presence of deep-level defects. These deep-level defects cause critical issues such as short carrier diffusion length, significant band tailing, and a large open-circuit voltage (VOC) deficit, ultimately leading to low device efficiency. To address these issues, we propose a post-fabrication defect healing strategy by dip-coating the CZTSSe film in dimethylformamide (DMF) solvent. Immersing the absorber layer in DMF (a polar solvent), neutralizes CuSn antisite defects through chemical bonding and facilitates the formation of a dense, smooth CZTSSe film with larger grain size. Deep-level transient spectroscopy revealed a remarkable increase in carrier diffusion length from 93 nm (control device) to 142 nm (champion device), confirming the beneficial effect of solvent-assisted post-treatment on mitigating CuSn antisite defects. The reduction in defect densities led to a decrease in VOC deficit by up to 289 mV, accompanied by an increased champion device efficiency of 11.4%. This work highlights the huge potential of the DMF post-treatment strategy for defect healing in CZTSSe solar cells.

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Molecular Catalysis · 2025 · IF 4.9

Se doped boron carbonitride nanotubes as a metal-free catalyst for selective oxidation of lignin-derived vanillyl alcohol to vanillin with molecular oxygen

Weitao Wang,Shuang Yue,Huan Wang,Jiaqi Zhu,Zhen-Hong He,Zhao-Tie Liu

Selective oxidation of lignin-derived vanillyl alcohol to vanillin is a vital reaction due to the widely application of vanillin. From aspect of green catalysis and sustainability, metal-free based heterogeneous catalyst for the entitled reaction is promising. In the present work, Se doped boron carbonitride (Se-BCN) nanotubes catalyst was rationally prepared and employed as the metal-free catalyst for the entitled reaction. The conversion can achieve 94.4 % with the selectivity of 89.4 % at 120 °C for 4 h, which is higher than most reported metal-based catalytic system. The reasons for the enhanced activity and selectivity of Se doped BCN nanotubes catalyst were revealed from the kinetic investigation and adsorption of vanillyl alcohol and vanillin. Mechanism study reveals that radicals are involved in the entitled reaction.

CAS / MDL: 121-33-5 121-34-6
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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

Sustainable recovery of Te(IV)/Se(IV) from mixed solutions via selective adsorption-desorption on amorphous hydrous zirconium oxides: Synergistic purification and enrichment

Biao Yuan,Pan Wu,Changjun Liu,Jian He,Wei Jiang

The absorber layers of end-of-life thin-film solar cells represent valuable sources of tellurium and selenium, necessitating efficient separation and recovery strategies for sustainable resource utilization. In this work, amorphous hydrous zirconium oxides (AHZOs) were synthesized via the sol-gel method, featuring abundant surface hydroxyl groups, and enhanced specific surface area for effective Te(IV)/Se(IV) adsorption. The maximum adsorption capacities reached 743.8 mg/g for Te(IV) at pH 8 and 375.5 mg/g for Se(IV) at pH 2, driven by spontaneous endothermic processes involving synergistic mechanisms of electrostatic attraction, hydrogen bonding, ion exchange, and surface complexation. Competitive adsorption studies revealed Te(IV)’s superior binding affinity, achieving a separation coefficient up to 1609 through the selective displacement of adsorbed Se(IV). Both single and mixed solutions can be treated as wastewater with appropriate amounts of AHZOs to achieve emission standards. A stepwise adsorption-desorption strategy yielded 99.6 %-pure Se(IV)-enriched and 95.9 %-pure Te(IV) solutions, enabling effective separation and purification. Volume-controlled desorption further facilitated resource enrichment, producing concentrated solutions containing 2324 mg/L Te(IV) and 2000 mg/L Se(IV). Through adsorption and desorption, the separation and recovery of Te(IV) and Se(IV) were achieved in the simulated leaching solution with recoveries of 90.8 % and 73.9 %, respectively. This study establishes AHZOs as a promising material for sustainable metal recovery from waste photovoltaic cells, demonstrating significant potential for resource recovery in renewable energy systems.

CAS / MDL: 1071-76-7
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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2025 · IF 9.7

Tip effect–driven interfacial microenvironment engineering enables highly efficient overall water splitting on Ru nanocluster electrocatalysts

Zeyi Guan,Liuyan Zhang,Yiqi Xie,Danting Wu,Binkai Yuan,Lichan Wu,Gengzhe Shen,Guibin Tan,Fujian Guo

Alkaline water electrolysis is recognized as an environmentally sustainable approach for generating high-energy-density clean hydrogen. However, its efficiency remains largely limited by the sluggish kinetics water dissociation in the hydrogen evolution reaction (HER), the challenge of activating water molecules, and the excessive consumption of OH − and high adsorption energy barriers of oxygenated intermediates during the oxygen evolution reaction (OER). In this work, A nanoneedle-structured Ru-NiCo₂O₄-Se electrocatalyst was developed, demonstrating excellent bifunctional electrocatalytic performance for both HER and OER. Through a combination of experimental characterizations and theoretical simulations, it had been revealed that the sharp-tip nanoneedle morphology generates intense local electric fields. These fields facilitate the enrichment of K + ions at the cathode, optimized the interfacial water structure, and substantially lower the energy barrier required for water dissociation. At the anode, the tip effect facilitated OH − accumulation, enhanced reactant mass transport, and accelerated OER kinetics. Moreover, metal–support interactions (MSI) between Ru nanoclusters and the support effectively modulate the adsorption behavior of H* and oxygenated intermediates, further boosting catalytic performance. The catalyst achieves overpotentials as low as −48 mV for HER and + 231 mV for OER at a current density of 10 mA·cm −2 , and delivers a high overall water splitting current of 100 mA·cm −2 at a cell voltage of only 1.7 V, along with remarkable long-term durability over hundreds of hours. This study presents an innovative strategy based on interfacial microenvironment engineering and electronic structure modulation, paving a fresh pathway for the development of cost-effective, high-performance, and long-lasting bifunctional electrocatalysts tailored for clean energy conversion.

研究领域: 电催化 · 可再生能源 · 材料科学 · 氢气生产 · 纳米材料
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Nature Communications · 2023 ·Vol. 14 ·期 1 ·1-9 · IF 16.6

Controlling Selenization Equilibrium Enables High-Quality Kesterite Absorbers for Efficient Solar Cells

Xu Xiao,Zhou Jiazheng,Yin Kang,Wang Jinlin,Lou Licheng,Jiao Menghan,Zhang Bowen,Li Dongmei,Shi Jiangjian,Wu Huijue,Luo Yanhong,Meng Qingbo

Kesterite Cu 2 ZnSn(S, Se) 4 is considered one of the most competitive photovoltaic materials due to its earth-abundant and nontoxic constituent elements, environmental friendliness, and high stability. However, the preparation of high-quality Kesterite absorbers for photovoltaics is still challenging for the uncontrollability and complexity of selenization reactions between metal element precursors and selenium. In this study, we propose a solid-liquid/solid-gas (solid precursor and liquid/vapor Se) synergistic reaction strategy to precisely control the selenization process. By pre-depositing excess liquid selenium, we provide the high chemical potential of selenium to facilitate the direct and rapid formation of the Kesterite phase. The further optimization of selenium condensation and subsequent volatilization enables the efficient removal of organic compounds and thus improves charge transport in the absorber film. As a result, we achieve high-performance Kesterite solar cells with total-area efficiency of 13.6% (certified at 13.44%) and 1.09 cm 2 -area efficiency of 12.0% (certified at 12.1%).

研究领域: 材料科学 · 光伏技术 · 太阳能 · 半导体物理
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JOURNAL OF ALLOYS AND COMPOUNDS · 2025 · IF 6.3

Optimizing Sb2(S,Se)3 thin films: Synergistic tuning of Sb/S ratio and selenization temperature for enhanced quality and deep-trapped defects control

Mingrui Li,Qingqin Ge,Nannan Shi,Ting Wang,Cheng Sun,Yanping Song

Antimony selenosulfide (Sb 2 (S,Se) 3 ) thin films hold significant potential in the photovoltaic field due to their tunable bandgap, high absorption coefficient (>10 5 cm −1 ), earth-abundant, and low-toxicity constituents. However, serious trapped-carrier recombination at deep-defect levels limits their efficient applications. In this sense, it is urgently necessary to address the issues of the defects and enhancing film properties. This study optimizes solution-processed Sb 2 (S,Se) 3 films by adjusting the antimony/sulfur (Sb/S) atomic ratio in precursors and the post-selenization temperature. Results show that an optimal Sb/S atomic ratio of 2/3.55 in precursors improves the crystallinity, enlarges the grain size, and minimizes the antimony-oxygen (Sb-O) impurities; this suppresses the deep-trapped carriers’ non-radiative recombination, and reduces the defect density in the Sb 2 (S,Se) 3 films. Furthermore, it is found that the selenization at an optimal temperature of 350 °C further increases the grain size, broadens the light absorption, and diminishes the deep-level defects, which is clearly revealed by the transient absorption experiments. This dual-parameter optimization strategy may promote the development of the high-performance Sb 2 (S,Se) 3 films towards high-efficiency photovoltaic applications.

研究领域: 材料科学 · 光伏技术 · 薄膜技术 · 半导体缺陷工程
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JOURNAL OF ALLOYS AND COMPOUNDS · 2017 · IF 3.133

Significantly enhancing back contact adhesion and improving stability of Cu2(Zn,Cd)Sn(S,Se)4 solar cell by a rational carbon doping strategy

Lei Meng,Bin Yao,Yongfeng Li,Zhanhui Ding,Zhenyu Xiao,Kaisi Liu,Gang Wang

The back contact adhesion is the important factor of the microstructural performance which can determine the optoelectronic properties of the kesterite-based solar cells. Here, we present a rational and effective strategy to significantly enhance the back contact adhesion of Cu 2 (Zn,Cd)Sn(S,Se) 4 (CZCTSSe) absorber layers by insetting the appropriate thickness carbon-doping CZCTS thin films . We chose the oleylamine as the carbon-doping reagent which can generate a small amount of carbon in the annealing process . The suitable thickness carbon-doping CZCTS films can significantly change the crystal growth mechanism of CZCTSSe absorber layers, and eliminate the holes in the back contact. The efficiency of CZCTSSe solar cells fabricated by insetting the appropriate thickness carbon-doping CZCTS films is above 7%, and shows the excellent repeatability and long-term air stability compared with the control devices.

研究领域: 材料科学 · 光伏技术 · 半导体物理 · 表面与界面工程 · 无机功能材料
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CRYSTAL GROWTH & DESIGN · 2026 · IF 3.6

Composition-Tuned Dual-Mode Photodetection in BiS1− x Se x I Crystals: From Bias-Driven Photoconductivity to Self-Powered Photothermoelectrics

Bao Xiao,Hong-Tao Jiang,Wenzhuo Han,Di Sun,Ning Li,Yiru Tai,Yang-Yang Lv,Bin-Bin Zhang

Abstract Bismuth-based chalcohalides have garnered significant attention for optoelectronic applications due to their low toxicity and excellent photophysical properties. Herein, high-quality BiS1−xSexI (0 ≤ x ≤ 1) single crystals were successfully grown via physical vapor transport (PVT) method. Se element substitution not only tunes the bandgap from 1.53 eV to 1.29 eV but also reduces the resistivity by over 6 orders of magnitude, enabling distinct photodetection mechanisms. For the end-member BiSI (BiS1−xSexI, x = 0), the device operates in a bias-dependent photoconductive mode, achieving a high responsivity of 1 mA/W at 10 V bias under 425 nm illumination. Conversely, for Se-rich compositions like BiS1−xSexI (x = 0.75, and 1), the photothermoelectric (PTE) effect dominates, allowing for sensitive self-powered broadband detection. The optimized PTE device exhibits stable ON-OFF switching under 425 nm illumination, yielding a responsivity of 227 mV/W with a specific detectivity of 6.5 × 106 Jones. These results highlight the versatility of BiS1−xSexI crystals, offering a pathway to switch between high-gain photoconductors and broadband, self-powered PTE detectors through compositional engineering.

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Solar RRL · 2025 · IF 4.7

Exceeding 13% Power Conversion Efficiency of Cu(In,Ga)(S,Se)2 Thin-Film Solar Cells with AgNWs/TiOx Composite Transparent Conductive Window Layer

Yongliang Lai,Bowen Liu,Dongdong Shen,Zhuoer Deng,Xinan Shi,Daocheng Pan

Indium tin oxide (ITO) is usually served as the transparent conductive electrode of Cu(In, Ga)(S, -Se) 2 (CIGSSe) solar cells. However, ITO is fabricated by sputtering method, which will increase the cost of CIGSSe solar cells and prevent its large-scale market applications in the future. Hence, it is particularly important to develop low-cost transparent conductive window layers to replace the traditional ITO. Silver nanowires (AgNWs) are considered to be the most promising alternative to ITO. Compared with sputtered ITO, AgNWs have the advantages of high transmittance, low cost, and easy fabrication. Nevertheless, the poor adhesion and stability of AgNWs can prevent the transportation of carriers of CIGSSe solar cells. Here, we select amorphous TiO x as an adjuvant to fabricate AgNWs/TiO x composite transparent conductive layer to substitute the traditional ITO. Under the assistance of TiO x matrix, not only the connection, adhesion, and stability of AgNWs are greatly enhanced, but also the surface roughness of AgNWs is also reduced. The influence of AgNWs concentration on the performance of CIGSSe solar cells is investigated. When the AgNWs concentration is 2.5 mg/mL, the transmittance and sheet resistance of AgNWs thin film are 93.35% and 93 Ω/sq, respectively, and the devices achieved the highest efficiency of 13.59%.

研究领域: 材料科学 · 能源技术 · 光电技术
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