Joule
·
2025
·
IF 35.4
Chenyang Zhang,Yuteng Jia,Bingqian Zhang,Qiangqiang Zhao,Ruida Xu,Shuping Pang,Han Wang,Stefaan De Wolf,Kai Wang
Perovskite solar cells’ performance is critically governed by interfacial chemistry. Here, we combine correlation analysis, hierarchical clustering, and least absolute shrinkage and selection operator (LASSO) regression to optimize feature engineering, followed by employing LASSO and elastic net (ENET) regression to develop a screening model. A multifunctional buried interface molecule, (2-(1,3-dioxo-1 H -benzo[ de ]isoquinolin-2(3H)-yl)ethyl)phosphonic acid (BIPA), was successfully screened and synthesized. As expected, BIPA binds strongly with SnO 2 through Sn···O–P coordination, effectively passivating Sn 2+ dangling bonds and oxygen vacancies. The Fermi level was shifted upward, facilitating electron extraction. Besides, BIPA modulated crystallization dynamics and alleviated compressive strain through C=O···Pb interaction, enabling the growth of dense perovskite films. Consequently, the BIPA-modified device achieved an efficiency of 26.3%. Varied band-gap performance improvements (23.2% for 1.67 eV and 18.5% for 1.85 eV) further underscored the universality of this approach. Unencapsulated devices retained 91% and 92% of their initial efficiency after 1,600 h of International Summit on Organic Photovoltaic Stability (ISOS-L-1) protocol and 2,000 h of ISOS-D-2 protocol, respectively.
研究领域:
材料科学
·
光伏技术
·
机器学习应用
·
能源材料
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
ACTA PHYSICO-CHIMICA SINICA
·
2025
·
IF 13.5
Zihan Cheng,Kai Jiang,Jun Jiang,Henggang Wang,Hengwei Lin
Integrating stimuli-responsive luminescence with dynamic emission properties offers a powerful strategy to enhance information encryption through multi-level authentication systems. By rationally tuning the singlet-triplet energy gap (Δ E ST ) of a material, simultaneous activation of phosphorescence (Phos) and delayed fluorescence (DF) can be achieved, enabling programmable dynamic afterglow behavior. In this work, we report the first carbon dot (CD)-based thermoresponsive dynamic afterglow material, synthesized via in situ covalent immobilization of CDs within a cyanuric acid matrix. The resulting system demonstrates a thermally driven green-to-blue afterglow transition across a wide temperature range (273.15–423.15 K), exhibiting dual-mode thermochromic afterglow (TCA) and time-resolved afterglow (TRA) characteristics. Notably, a blue-to-green afterglow transition occurs above the threshold temperature of 348.15 K, where TRA dominates due to temperature-dependent exciton redistribution. This synergistic TCA-TRA interplay endows the material with unprecedented dynamic afterglow modulation capabilities. Structural and photophysical analyses confirm that covalent fixation reduces the Δ E ST of CDs from 0.46 to 0.28 eV, as designed. This ΔE ST engineering enables thermal control over the Phos/DF equilibrium, directly governing the observed dynamic emission. Finally, the potential applications of the prepared material in thermal monitoring and high-security information protection are also demonstrated.
研究领域:
材料科学
·
纳米技术
·
光学材料
·
刺激响应材料
·
信息安全
✓ 已验证
产品关联
DOI
高影响因子
INORGANIC CHEMISTRY
·
2022
·
IF 5.436
Yan Chen,Chunli Hu,Zhi Fang,Yilin Li,Jianggao Mao
Birefringent materials capable of modulating the polarization of light have attracted intensive studies because of their wide utilization in optical communication and the laser industry. Herein, two new lead(II)-based cyanurates, namely, Pb(H2C3N3O3)X (X = OH, F), were synthesized by hydrothermal methods, and the first halogen-containing metal cyanurate Pb(H2C3N3O3)F was successfully obtained by the rational substitution of a homovalent anion. Pb(H2C3N3O3)X (X = OH, F) belong to space group P1̅, and their structures display a neutral [Pb(H2C3N3O3)X] (X = OH, F) layer. The Pb2+ ions in Pb(H2C3N3O3)(OH) are interconnected by hydroxyl groups and oxygen atoms of cyanurate anions into a 1D [PbO(OH)]− chain, whereas the Pb2+ ions in Pb(H2C3N3O3)F are interconnected by F– anions and oxygen atoms of cyanurate anions into a 2D [PbOF]− layer. The π–π interactions between adjacent hydroisocyanurate rings and the hydrogen bonds between neighboring neutral layers provide additional stability to the structures. Luminescent studies show that Pb(H2C3N3O3)(OH) and Pb(H2C3N3O3)F emit yellow-green and blue light, respectively. Theoretical calculations unveiled their birefringences of 0.079 and 0.203@1064 nm and their band gaps of 3.96 and 4.96 eV, respectively, for OH– and F– containing materials. Obviously, the substitution of OH– by F– with the largest electronegativity can simultaneously improve both the birefringence and band gap.
研究领域:
材料科学
·
光学材料
·
无机化学
·
固态化学
✓ 已验证
DOI
高影响因子
ACTA PHYSICO-CHIMICA SINICA
·
2016
·Vol. 32
·期 4
·828-833
·
IF 0.844
HU Xue-Mei,GAO Xiang-Dong,LI Xiao-Min,GU Zheng-Ying,SHI Ying,WU Yong-Qing
Perovskite-structured SrSnO3 has attracted considerable attention in recent years because of its unusual dielectric and semiconducting properties. Certain dopants can be used to modify and improve the properties of these materials. Epitaxial SrSn1-x
Co
x
O3
(x = 0, 0.16, 0.33, 0.5) (SSCO) thin films were deposited on single crystal SrTiO3(001) substrates via the pulsed laser deposition method. The crystallinity, microstructure, optical, and electrical properties of the films were investigated. The results indicated that SrSn1-x
Co
x
O3
films were epitaxially grown on SrTiO3(001) substrate with both a perovskite structure and high crystallinity irrespective of the Co doping level. The films exhibited a smooth and dense morphology with a root-mean-square roughness of 0.44 nm and a film thickness of ~200 nm. As the‘x’
value increased from 0 to 0.5, the optical transmittance decreased from 90%to 25%, and the band gap dropped from 4.24 to 2.44 eV. Moreover, the doped film exhibited a high dielectric constant of 70.1 at 106 Hz, 57% higher than the control SrSnO3 film. The SSCO film displayed
surface resistivity of 172 Mω at room temperature and high stability at temperature up to 1000°C.
研究领域:
材料科学
·
凝聚态物理
·
薄膜技术
·
光电子学
✓ 已验证
DOI
高影响因子
CHEMISTRY-A EUROPEAN JOURNAL
·
2014
·Vol. 20
·期 41
·13259-13271
·
IF 5.696
Xiaopeng Xu,Yulei Wu,Junfeng Fang,Zuojia Li,Zhenguo Wang,Ying Li,Qiang Peng
A new series of donor–acceptor co-polymers based on benzodithiophene and quinoxaline with various side chains have been developed for polymer solar cells. The effect of the degree of branching and dimensionality of the side chains were systematically investigated on the thermal stability, optical absorption, energy levels, molecular packing, and photovoltaic performance of the resulting co-polymers. The results indicated that the linear and 2D conjugated side chains improved the thermal stabilities and optical absorptions. The introduction of alkylthienyl side chains could efficiently lower the energy levels compared with the alkoxyl-substituted analogues, and the branched alkoxyl side chains could deepen the HOMO levels relative to the linear alkoxyl chains. The branched alkoxyl groups induced better lamellar-like ordering, but poorer face-to-face packing behavior. The 2D conjugated side chains had a negative influence on the crystalline properties of the co-polymers. The performance of the devices indicated that the branched alkoxyl side chains improved the V oc , but decreased the J sc and fill factor (FF). However, the 2D conjugated side chains would increase the V oc , J sc , and FF simultaneously. For the first time, our work provides insight into molecular design strategies through side-chain engineering to achieve efficient polymer solar cells by considering both the degree of branching and dimensionality. Graphical Bit on the side : By considering the degree of branching and dimensionality simultaneously, a systematic investigation of side-chain engineering was performed to explore the effect on the thermal stability, optical absorption, energy levels, molecular packing, and photovoltaic properties of the resulting co-polymers (see figure).
研究领域:
材料科学
·
高分子化学
·
有机电子学
·
光伏技术
·
太阳能
✓ 已验证
DOI
高影响因子
Journal of Materials Chemistry C
·
2022
·Vol. 10
·期 41
·15638-15646
·
IF 8.067
Xiang Li,Xinghuan Hu,Hua Liao,Shuai Yang,Xinyu Li,Qiulian Li,Xin Liu,Yonggang Zhao,Shurong Wang
In this study, a simple and reproducible two-step annealing process was demonstrated to prepare Cu2ZnSn(S,Se)4 (CZTSSe) thin film with band-gap grading by selenization followed by post-sulfo-selenization (PSS) treatment. The effects of PSS treatment on the composition and electrical properties of the CZTSSe thin film were investigated. The crystal structure, surface morphology, surface roughness and element composition of the CZTSSe thin film were characterized by GIXRD, SEM, AFM and EDS tests. The composition of elements at different depths of the thin film was also investigated. It was confirmed that CZTSSe thin film with high sulfur element content on the surface and low at the bottom were obtained after PSS treatment. The electrical performance of the CZTSSe solar cells was measured by Hall test, EQE and J–V. The results showed that the power conversion efficiency (PCE) of the CZTSSe thin film without PSS treatment was only 7.62%, while the PCE of the CZTSSe thin film after PSS treatment increased to 10.11%.
研究领域:
材料科学
·
光伏技术
·
半导体薄膜
✓ 已验证
DOI
高影响因子
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
·
2021
·
IF 4.098
Jialing Shi,Lili Ju,Xin Zhang,Yingzhou Huang,Yurui Fang
Nanogaps are one of the most useful systems in nanooptics. The gap modes in a film coupled dielectric nanoparticle dimer system are influenced by both of the film and the electric and magnetic modes of the particles. In this work, strong confinement of gap modes of dielectric (Si) nanoparticle dimer on Au/Si film is investigated. The results show an abnormal electric field enhancement obtained between Si nanoparticle dimer on metal film, which is attributed to film coupled electric and magnetic dipole modes in dielectric nanoparticle dimer. The results are further analyzed with mode hybridization theory. Furthermore, the surface enhanced Raman spectroscopy (SERS) is performed to demonstrate these theoretical analyses. The film induced electromagnetic field redistribution in dielectric nanoparticle dimer not only extend the knowledge of dielectric gap modes but also has tremendous applications, e.g. light manipulating in subwavelength, light harvest, surface enhanced spectrum, etc.
研究领域:
纳米光子学
·
等离激元学
·
光学材料
·
表面增强光谱
·
超材料
✓ 已验证
DOI
高影响因子
Science China-Materials
·
2026
·
IF 7.7
Shi Yunfei,Wang Hongshan,Chu Yu,Su Xin,Li Zhenglong,Lu Juanjuan,Abudurusuli Ailijiang,Li Junjie,Pan Shilie
Nonlinear optical crystals are the critical optical devices of all-solid-state lasers. Here, we report the rational design and synthesis of a new diamond-like (DL) compound, AlGaS 3 , assembled from two strategically selected tetrahedral units: a wide HOMO-LUMO gap [AlS 4 ] and an NLO-active [GaS 4 ]. Notably, AlGaS 3 crystallises in the noncentrosymmetric monoclinic space group Cc . It features a favourable tetrahedral stacking arrangement similar to that of β -ZnS. This compound exhibits a wide band gap (3.38 eV), a high laser-induced damage threshold (LIDT) of 6.0 × AgGaS 2 , and a phase-matchable second-harmonic generation (SHG) response of 0.5 × AgGaS 2 , achieving a desirable property balance for IR NLO candidates. Theoretical calculations show that both [AlS 4 ] and [GaS 4 ] contribute to the band gap, with [GaS 4 ] underpinning the NLO activity. Additionally, AlGaS 3 exhibits congruent melting behaviour, enabling the growth of high-quality bulk crystals via the Bridgman-Stockbarger method, a crucial step for practical applications of new materials. The results confirm AlGaS 3 as a promising IR NLO material with high tolerance to laser radiation and provide new insights into developing advanced photoelectric materials with tunable properties via partial tetrahedral substitution in the DL framework.
✓ 已验证
DOI
高影响因子
DALTON TRANSACTIONS
·
2017
·Vol. 46
·期 8
·2643-2652
·
IF 4.029
Aimin Wu,Jing Li,Baodan Liu,Wenjin Yang,Yanan Jiang,Lusheng Liu,Xinglai Zhang,Changmin Xiong,Xin Jiang
(GaN)1−x(ZnO)x solid solution has attracted extensive attention due to its feasible band-gap tunability and excellent photocatalytic performance in overall water splitting. However, its potential application in the photodegradation of organic pollutants and environmental processing has rarely been reported. In this study, we developed a rapid synthesis process to fabricate porous (GaN)1−x(ZnO)x solid solution with a tunable band gap in the range of 2.38–2.76 eV for phenol photodegradation. Under visible-light irradiation, (GaN)0.75(ZnO)0.25 solid solution achieved the highest photocatalytic performance compared to other (GaN)1−x(ZnO)x solid solutions with x = 0.45, 0.65 and 0.85 due to its higher redox capability and lower lattice deformation. Slight Ag decoration with a content of 1 wt% on the surface of the (GaN)0.75(ZnO)0.25 solid solution leads to a significant enhancement in phenol degradation, with a reaction rate eight times faster than that of pristine (GaN)0.75(ZnO)0.25. Interestingly, phenol in aqueous solution (10 mg L−1) can also be completely degraded within 60 min, even under the direct exposure of sunlight irradiation. The photocurrent response indicates that the enhanced photocatalytic activity of (GaN)0.75(ZnO)0.25/Ag is directly induced by the improved transfer efficiency of the photogenerated electrons at the interface. The excellent phenol degradation performance of (GaN)1−x(ZnO)x/Ag further broadens their promising photocatalytic utilization in environmental processing, besides in overall water splitting for hydrogen production.
研究领域:
材料科学
·
环境科学
·
光催化
·
半导体物理
·
能源化学
✓ 已验证
DOI
高影响因子
Journal of Materials Chemistry A
·
2013
·Vol. 2
·期 3
·653-662
·
IF 0
Zhi Zeng,Ying Li,Jufu Deng,Qin Huang,Qiang Peng
Using tetrathienoacene (TT) and diketopyrrolopyrrole (DPP) units as donor and acceptor blocks, three new low band gap (LBG) conjugated copolymers (PTTDPO, PTTDPS and PTTDPSe) with different heterocycle bridges (furan, thiophene and selenophene) were designed and synthesized by Stille coupling polymerization reactions. Their structures were verified by 1HNMR spectroscopy and elemental analysis. All these copolymers exhibit broad absorption bands with small band gaps. UV-vis absorption spectra and cyclic voltammetry (CV) measurements indicated that the selenophene inclusion resulted in a reduction in the band gap, which could be attributed to a reduction of oxidation potentials and an increase of the electron affinities of the related copolymer. The density functional theory (DFT) calculations showed that PTTDPSe with selenophene bridges favoured a much more planar conformation than PTTDPO and PTTDPS, which afforded a higher hole mobility of 7.9 × 10−4 cm2 V−1 s−1. Photovoltaic properties of the copolymers blended with [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM) as an electron acceptor were investigated. The polymer solar cell (PSC) based on the structure of ITO/PEDOT:PSS/PTTDPSe:PC71BM (1 : 1.5, w/w)/Ca/Al exhibited a high power conversion efficiency (PCE) of 5.68% with an improved short circuit current density (Jsc) of 15.62 mA cm−2. The primary results show that changing heterocycle bridges with different electron-donating ability can easily and finely tune the optical absorptions, band gaps and energy levels of DPP-containing copolymers. The results also demonstrate that the TT unit is a new and promising electron-donating donor block for constructing highly efficient LBG photovoltaic materials.
研究领域:
高分子化学
·
材料科学
·
光伏器件
·
有机电子学
·
能源材料
✓ 已验证
DOI
JOURNAL OF MEMBRANE SCIENCE
·
2020
·
IF 7.183
Zhen-Yuan Wang,Zheng-Jun Fu,Dan-Dan Shao,Mei-Jin Lu,Qian-Cheng Xia,Hui-Fang Xiao,Bao-Wei Su,Shi-Peng Sun
Delamination of the dual-layer membrane fabricated from immiscible polymers is recognized as the main obstacle to advance the technology. The current work discloses an innovative approach to address the delamination issue by incorporating specific functional groups on the polymer chains. Delamination-free P84®/Ultem® dual-layer hollow fiber nanofiltration membranes were obtained by incorporating 4-Fluoro-2-(trifluoromethyl) benzylamine (FTB) in P84® polyimide . The progressively incorporated FTB on P84® decreases solubility parameter difference and establishes specific intermolecular interactions between the polymer pair which contributes to the interpenetration of molecules at the interfacial region of the dual layers. The interpenetrated network structure at the interfacial region renders the robust integrity of the dual-layer membranes. The one-step fabricated membranes had an over 99% rejection of tetracycline (MW: 444.4 Da) in methanol with pure methanol permeance of 3.7 LMH/bar. The elaborated mechanism may potentially enlarge the scope of selecting immiscible polymers for fabricating dual-layer membranes by molecular designing.
研究领域:
材料科学
·
膜技术
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
ACS Nano
·
2013
·
IF 12.062
Feng-Jia Fan,Liang Wu,Ming Gong,Guangyao Liu,Yi-Xiu Wang,Shu-Hong Yu,Shiyou Chen,Lin-Wang Wang,Xin-Gao Gong
The wurtzite-derived Cu2ZnSn(S1–xSex)4 alloys are studied for the first time through combining theoretical calculations and experimental characterizations. Ab initio calculations predict that wurtzite-derived Cu2ZnSnS4 and Cu2ZnSnSe4 are highly miscible, and the band gaps of the mixed-anion alloys can be linearly tuned from 1.0 to 1.5 eV through changing the composition parameter x from 0 to 1. A synthetic procedure for the wurtzite-derived Cu2ZnSn(S1–xSex)4 alloy nanocrystals with tunable compositions has been developed. A linear tunable band-gap range of 0.5 eV is observed in the synthesized alloy nanocrystals, which shows good agreement with the ab initio calculations.
研究领域:
材料科学
·
化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）