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Highly efficient ternary organic solar cells with excellent open-circuit voltage and fill factor via precisely tuning molecular stacking and morphology

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science China Chemistry 2024年第3期67卷 963-972页

作者： Dinghong Sun Zhenyu Chen Jianfeng Zhang Wei Song Jingyu Shi Jintao Zhu Yuanyuan Meng Fei Jin Shuncheng Yang Ziyi Ge Faculty of Electrical engineering and Computer science Ningbo UniversityNingbo 315211China Faculty of material science and chemical engineering Ningbo UniversityNingbo 315211China Zhejiang Provincial engineering Research Center of Energy Optoelectronic materials and Devices Ningbo Institute of Materials Technology&EngineeringChinese Academy of SciencesNingbo 315201China Center of materials science and Optoelectronics engineering university of Chinese Academy of sciences Beijing 100049China Department of chemical and Environmental engineering University of Nottingham NingboNingbo 315100China

The micro-morphology and molecular stacking play a key role in determining the charge transport process and nonradiative energy loss, thus impacting the performances of organic solar cells(OSCs). To address this issue, a non-fullerene acceptor PhC6-IC-F with alkylbenzene side-chain, possessing optimized molecular stacking, complementary absorption spectra and forming a cascade energy level alignment in the PM6:BTP-eC9 blend, is introduced as guest acceptor to improve efficiency of ternary OSCs. The bulky phenyl in the side-chain can regulate crystallinity and optimizing phase separation between receptors in ternary blend films, resulting in the optimal phase separations in the ternary films. As a result, high efficiencies of 18.33% as photovoltaic layer are obtained for PhC6-IC-F-based ternary devices with excellent fill factor(FF) of 78.92%. Impressively, the ternary system produces a significantly improved open circuit voltage(V_(oc)) of 0.857 V compared with the binary device,contributing to the reduced density of trap states and suppressed non-radiative recombination result in lower energy loss. This work demonstrates an effective approach for adjusting the aggregation, molecular packing and fine phase separation morphology to increase V_(oc) and FF, paving the way toward high-efficiency OSCs.

关键词： alkylbenzene side-chain morphology regulation ternary blends organic solar cells

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Cu-substituted nickel hexacyanoferrate with tunable reaction potentials for superior ammonium ion storage

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Journal of materials science & Technology 2024年第2期169卷 19-27页

作者： Leiyu Fan Guangchang Shu Yiwen Liu Haoxiang Yu Lei Yan Liyuan Zhang Jie Shu School of materials science and chemical engineering Ningbo UniversityNingbo 315211China

In this work,a variety of Cu_(x)Ni_(2-x)Fe(CN)_(6)(x=0,0.4,0.8,1.2,1.6,2)cathodes for ammonium ion batteries are prepared and their electrochemical performances are *** the introduction of copper in nickel hexacyanoferrate,the electrochemical performance varies without changing the structure of nickel *** increase of Cu content in nickel hexacyanoferrate leads to the enhancement of reaction potential and *** results suggest that the substitution of Cu for Ni has a positive effect on improving the cycling stability and rate capacity of nickel hexacyanoferrate when x in Cu_(x)Ni_(2-x)Fe(CN)_(6)is less than ***,Cu_(0.4)Ni_(1.6)Fe(CN)_(6)exhibits the best cycling per-formance(capacity retention of 97.54%at 0.3 C)and the highest rate capacity(41.4 mAh g^(-1)at 10 C)in Cu_(x)Ni_(2-x)Fe(CN)_(6).Additionally,the X-ray diffraction(XRD)and X-ray photoelectron spectroscopy(XPS)tests also reveal that the structural evolution of Cu_(0.4)Ni_(1.6)Fe(CN)_(6)is highly reversible upon NH_(4)^(+)***,this work proposes a candidate material for ammoniumion batteries and offers a novel avenue for adjusting the operating potential of the material.

关键词： Nickel hexacyanoferrate Copper hexacyanoferrate NH_(4)^(+)storage Ammonium ion batteries Aqueous batteries

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Strong ferroelectric and luminescence properties of 0-3 type 0.8BaTiO_(3)-0.2CaTiO_(3):Pr^(3+)composite ceramics prepared by cold sintering process

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Journal of Advanced Ceramics 2024年第7期13卷 1002-1010页

作者： Xiaocui Rao Xueling Yang Renbing Sun Peng Du Hai Jiang Yao Huang Laihui Luo Department of Microelectronics science and engineering School of Physical Science and TechnologyNingbo UniversityNingbo 315211China college of materials science and engineering Ningbo University of TechnologyNingbo 315016China

0-3 type ferroelectric-phosphor composite ceramics cannot be prepared by the traditional solid-state sintering(SSS)method due to the strong chemical reaction between ferroelectrics and phosphors during high-temperature *** cold sintering process(CSP)may solve this issue by densifying ceramics at ultralow sintering *** this work,dense 0-3 type 0.8BaTiO3-0.2CaTiO3:Pr^(3+)(0.8BT-0.2CT:Pr^(3+))binary composite ceramics were fabricated at an ultralow temperature of 225℃via CSP with the Ba(OH)2·8H2O hydrated *** effects of the Ba(OH)2·8H2O content,sintering temperature,and sintering time on the microstructure and densification of the ceramics were *** density of the composite ceramics prepared by the optimized sintering parameters reaches 89%.Both energy-dispersive X-ray(EDX)spectroscopy and X-ray diffraction(XRD)confirm the existence of BT and CT:Pr^(3+)phases in the prepared ceramics.A strong ferroelectric performance is obtained,and the luminescent properties of CT:Pr^(3+)are preserved for the ***,the 0.8BT-0.2CT:Pr^(3+)composite ceramics prepared by CSP have stronger photoluminescence and photo-stimulated luminescence than their counterparts prepared by cold sintering assistance(CSA)and SSS ***,CSP is a promising method for combining luminescent and ferroelectric properties into 0-3 type composite ceramics.

关键词： single-step densification cold sintering composite ceramics ferroelectric luminescence

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Metal and ligand modification modulates the electrocatalytic HER,OER,and ORR activity of 2D conductive metal-organic frameworks

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Nano Research 2024年第9期17卷 7984-7990页

作者： Yanan Zhou Li Sheng Lanlan Chen Wenhui Zhao Wenhua Zhang Jinlong Yang School of material science and chemical engineering Institute of Mass SpectrometryNingbo UniversityNingbo 315211China Department of chemical Physics University of Science and Technology of ChinaHefei 230026China Department of material science and engineering University of Science and Technology of ChinaHefei 230026China Department of Physics Ningbo UniversityNingbo 315211China Hefei National Laboratory for Physical sciences at the Microscale CAS Key Laboratory of Materials for Energy Conversion and Synergetic Innovation Centre of Quantum Information and Quantum PhysicsUniversity of Science and Technology of ChinaHefei 230026China

It is highly desirable to design efficient and stable hydrogen evolution reaction(HER)and oxygen evolution/reduction reaction(OER/ORR)electrocatalysts for the development of renewable energy ***,density functional theory(DFT)calculations were conducted to systematically investigate a series of TMN_(x)O_(4-x)-HTT(TM=Fe,Co,Ni,Ru,Rh,Pd,Ir and Pt;HTT=hexahydroxy tetraazanaphthotetraphene)analogs of two-dimensional(2D)conductive metal-organic frameworks(MOFs)as potential electrocatalysts for the HER,OER and *** thermodynamic and electrochemical stability simulations suggest that these designed catalysts are ***,CoO_(4)-HTT,RhN_(3)O_(1)-HTT and IrN3O1-HTT are predicted to be the most promising catalysts for the HER,OER and ORR,respectively,surpassing the catalytic activity of corresponding benchmark *** volcano plots were established based on the scaling relationship of adsorption Gibbs free energy of *** results reveal that regulating combinations of metal active centers and local coordination environments could effectively balance the interaction strength between intermediates and catalysts,thus achieving optimal catalytic *** findings not only opt for the promising HER/OER/ORR electrocatalysts but also guide the design of efficient electrocatalysts based on 2D MOFs materials.

关键词： hydrogen evolution reaction(HER) oxygen evolution/reduction reaction(OER/ORR) electrocatalysts design twodimensional(2D)conductive metal-organic frameworks(MOFs) density functional theory(DFT)

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Asymmetric Zn-N4 atomic sites embedded hollow fibers as stable Zn anode for high-performance Zn-ion hybrid capacitor

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Journal of Energy Chemistry 2024年第10期97卷 460-469页

作者： Yukun Liu Bing Li Jin Wang Caiyun Li Hongrui Yang Yang Song Sen Zhang Chao Deng Key Laboratory for Photonic and Electronic Bandgap materials Ministry of Education College of Physics and Electronic Engineering Harbin Normal University college of material science and chemical engineering Harbin Engineering University

Zn based electrochemical energy storage systems（EES） have attracted tremendous interests owing to their low cost and high intrinsic ***,the uncontrolled growth of Zn dendrites and the side reactions of Zn metal anodes（ZMAs） severely restrict their *** address these issues,we design the asymmetric Zn-N4atomic sites embedded hollow fibers（AS-IHF） as the flexible host for stable *** introducing different nitrogen resources in the synthesis,two kinds of coordination,i,***-N（pyridinic） and Zn-N（pyrrolic）,are introduced in the Zn-N4atomic module *** asymmetric Zn-N4module with regulated micro-environment facilitates the superior zincophilic features and promotes the Zn ***,the highly porous structure of the hollow fiber effectively reduces local current density,homogenize Zn ion flux,and alleviate structure *** the advantages endow the high efficiency and good stability for Zn plating/*** theoretical and experimental results demonstrate the high reversibility,low nucleation overpotential,and dendritefree behavior of the AS-IHF@Zn anode,which afford the high stability in high-rate and long-term ***,the solid-state Zn-ion hybrid capacitor（ZIHC） based on AS-IHF@Zn anode shows the high flexibility,reliability,and superior long-term cycling capability in a wide-range of temperatures（-20-25℃）.Therefore,the present work not only gives a new strategy for modulating local environments of single atomic sites,but also propels the development of flexible power sources for diverse electronics.

关键词： Asymmetric coordination Dendrite free behavior Single atomic sites Zincophilic sites Zn-ion hybrid capacitor

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Particle agglomeration and inhibition method in the fluidized pyrolysis reaction of waste resin

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Chinese Journal of chemical engineering 2024年第3期67卷 135-147页

作者： Congjing Ren Peng Zhang Qi Song Zhengliang Huang Yao Yang Yongrong Yang ningbo Innovation Center Zhejiang UniversityNingbo 315100China college of chemical and Biological engineering Zhejiang Provincial Key Laboratory of Advanced Chemical Engineering Manufacture TechnologyZhejiang UniversityHangzhou 310027China

This work investigated the pyrolysis reaction of waste resin in a fluidized bed *** was found that the pyrolysis-generated ash would adhere to the surface of ceramic particles,causing particle agglomeration and *** kaolin could effectively inhibit the particle agglomeration during the fluidized pyrolysis reaction through physical isolation and chemical *** the one hand,kaolin could form a coating layer on the surface of ceramic particles to prevent the adhesion of organic ash generated by the pyrolysis of *** the other hand,when a sufficient amount of kaolin(-0.2%(mass))was added,the activated kaolin could fully contact with the Na+ ions generated by the pyrolysis of resin and react to form a high-melting aluminosilicate mineral(nepheline),which could reduce the formation of low-melting-point sodium sulfate and thereby avoid the agglomeration of ceramic particles.

关键词： Pyrolysis reaction of waste resin Fluidization Particle agglomeration Kaolin

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19.3% Efficiency ternary organic solar cells enabled by the alkyl side-chain effect of guest non-fullerene acceptors

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science China Chemistry 2024年第8期67卷 2686-2693页

作者： Hongqian Wang Sijian Wu Daobin Yang Xueliang Yu Shuncheng Yang Pengfei Ding Pengyu Yan Zaifei Ma Jianfeng Zhang Ziyi Ge School of materials science and chemical engineering Ningbo UniversityNingbo 315211China Zhejiang engineering Research Center for Energy Optoelectronic materials and Devices Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingbo 315201China State Key Laboratory for Modification of chemical Fibers and Polymer materials Center for Advanced Low-dimension MaterialsCollege of Materials Science and EngineeringDonghua UniversityShanghai 201620China Center of materials science and Optoelectronics engineering University of Chinese Academy of SciencesBeijing 100049China

The effect of side-chain engineering of conjugated molecules on the morphology and device performance in binary organic solar cells has been widely investigated. However, this relationship has hardly been studied in the guest components of ternary organic solar cells. In this study, a family of non-fullerene guest acceptors, namely XY-3, XY-5 and XY-7, with hydrogen substituent,straight and branched alkyl chains on the bithiophene units, respectively, were designed and synthesized to understand their effects on aggregation properties and device performance. The straight and branched alkyl chains on the bithiophene units result in sightly blue-shifted absorption compared to the hydrogen substituent and the XY-7 demonstrates the most appropriate phase separation scale and the most balanced charge transport. Consequently, the OSCs based on D18:e C9:XY-7 achieve a high shortcircuit current density(JSC) and fill factor(FF), while maintaining the enhancement of the open-circuit voltage(VOC) achieving an efficiency of 19.32%, exceeding those of D18:e C9, D18:e C9:XY-3, D18:e C9:XY-5(PCE:18.28%, 19.04%, 18.75%, respectively). These results highlight that the side-chain engineering of Y series non-fullerene acceptors as the guest acceptors has great potential in optimizing morphology properties and promoting photovoltaic performance.

关键词： organic solar cells side chain engineering ternary strategy non-fullerene energy losses

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Two-dimensional C2N-based single-atom catalyst with complex microenvironment for enhanced electrochemical nitrogen reduction:A descriptor-based design

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Journal of Energy Chemistry 2024年第10期97卷 110-119页

作者： Enduo Dai Wei An Ruixian Guo Xugen Shi Yunyi Li Yibo Wang Mingming Liu college of Chemistry and chemical engineering Shanghai University of Engineering Science

The catalytic descriptor with operational feasibility is highly desired towards rational design of high-performance catalyst especially the electrode/electrolyte solution interface working under mild ***,we demonstrate that the descriptor Ω parameterized by readily accessible intrinsic properties of metal center and coordination is highly operational and efficient in rational design of single-atom catalyst（SAC） for driving electrochemical nitrogen reduction（NRR）.Using twodimensional metal（M）-BxPySzNm@C2N as prototype SAC models,we reveal that*N2+（H++e-）→*N2H acts predominantly as the potential-limiting step（PLS） of NRR on M-B2P2S2@C2N and M-B1P1S1N3@C2N regardless of the distinction in coordination *** the 28 screened M active sites,with Ω values close to the optimal 4,M-B2P2S2@C2N(M=V（Ω=3.53）,Mo（Ω=5.12）,and W（Ω=3.92）) and M-B1P1S1N3@C2N(M=V（Ω=3.00）,Mo（Ω=4.34）,and W（Ω=3.32）) yield the lowered limiting potential（UL） as-0.45,-0.54.-0.36,-0.58,-0.25,and-0.24 V,respectively,thus making them the promising NRR *** importantly,these SACs are located around the top of volcano-shape plot of ULversus Ω,re-validating Ω as an effective descriptor for accurately predicting the high-activity NRR SACs even with complex *** study unravels the relationship between active-site structure and NRR performance via the descriptor Ω,which can be applied to other important sustainable electrocatalytic reactions involving activation of small molecules via σ-donation and π*-backdonation mechanism.

关键词： Descriptor DFT Electrocatalysis N2 reduction Single-atom catalyst

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Advanced oxidation via the synergy of C-defective/C-O band modified ultrathin porous g-C3N4 and PMS for efficient photothermal degradation of bisphenol pollutants and lignin derivatives

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Green Energy & Environment 2024年第7期9卷 1159-1170页

作者： Liquan Jing Meng Xie Yuanguo Xu Chun Tong Xia Du Heng Zhao Na Zhong Huaming Li Jinguang Hu School of Chemistry and chemical engineering Jiangsu University Department of chemical and Petroleum engineering University of Calgary School of Pharmacy Jiangsu University School of material science & chemical engineering Harbin University of Science and Technology Institute for Energy Research Jiangsu University

This work uses thermal polymerization of urea nitrate, oxyacetic acid and urea as the raw material to prepare ultra-thin porous carbon nitride with carbon defects and C-O band（OA-UN-CN）. Density functional theory（DFT） calculations showed OA-UN-CN had narrower band gap,faster electron transport and a new internal construction electric field. Additionally, the prepared OA-UN-CN significantly enhanced photocatalytic activation of peroxymonosulfate（PMS） due to enhanced light absorption performance and faster electron overflow. As the result, the OA-UN-CN/PMS could entirely degrade bisphenol A（BPA） within 30 min, where the photodegradation rate was 81.8 and 7.9 times higher than that of g-C3N4and OA-UN-CN, respectively. Beyond, the OA-UN-CN/PMS could likewise degrade other bisphenol pollutants and sodium lignosulfonate efficiently. We suggested possible photocatalytic degradation pathways accordingly and explored the toxicity of its degradation products. This work provides a new idea on the development of advanced photocatalytic oxidation processes for the treatment of bisphenol pollutants and lignin derivatives, via a metal-free photothermal-catalyst.

关键词： Photothermal-catalytic G-C 3 N 4 Peroxymonosulfate Bisphenol Sodium lignosulfonate

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Polyoxometalates-derived ternary metal oxides electrocatalyst for N_(2) reduction under ambient conditions

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Tungsten 2024年第2期6卷 428-437页

作者： Meng-Le Yang Zhong-Xin Jin Xi-Xian Cao Xin-Ming Wang Hui-Yuan Ma Hai-Jun Pang Gui-Xin Yang The School of material science and chemical engineering Harbin University of Science and TechnologyHarbin 150040China

Accelerating the breaking of the nitrogen nonpolar bond(N≡N)is an important factor to improve the effi ciency of the electro-catalytic nitrogen reduction reaction(e-NRR).In this work,polyoxometalates-derived FeMo-based ternary oxide materials MoO_(2)-Mo_(4)O_(11)-FeMoO_(4)@X(abbreviated as MoFeO@X,X represents the synthesis temperature of 650,750 and 850℃)were designed and synthesized for e-NRR under ambient *** scanning electron microscopy images of MoFeO@750 show an ellipsoidal-like structure(0.86×0.6μm).The relatively large specifi c surface area,formation of multiple interfaces,together with the synergistic eff ect of iron and molybdenum bimetals,would make MoFeO@X catalyst more easily absorb and activate N_(2)in the ***,the synthesized MoFeO@750 shows an optimal NH_(3)production rate of 16.57μg·h^(−1)·mg cat.^(−1)and Faradaic effi ciency of 12.33%at−0.3 V versus reversible hydrogen electrode(ν***),with outstanding electrochemical and structural stability.

关键词： Polyoxometalates Electrocatalytic nitrogen reduction reaction Ternary oxide Electrocatalyst

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