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Journal of Environmental Chemical Engineering · 2026 ·Vol. 14 ·期 6 ·124990 · IF 7.5

Linking microscopic structural units to macroscopic performance: MnO6 connectivity as a structural regulator of oxygen dynamics in VOC oxidation

Jianguo Ding,Tingting Pan,Hua Deng,Yuqin Lu,Sijia Bai,Hong He

Although manganese-based oxides (MnO x ) are promising catalysts for the combustion of volatile organic compounds (VOCs), a fundamental understanding of the intricate relationship between their atomic-scale structure and catalytic activity remains elusive. Here, a series of Mn-based oxides with distinct local coordination environments (MnO 2 , Mn 2 O 3 , LaMnO 3 , and Mn 3 O 4 ) was synthesized to examine the structure–oxygen dynamics–activity relationship in VOC oxidation within a Mars–van Krevelen (MvK) framework. Across this series, VOC oxidation performance was more consistently associated with oxygen-release and redox behavior than with individual static surface descriptors. MnO 2 combines a more heterogeneous, less uniformly constrained Mn–O network with a larger accessible oxygen reservoir and a more favorable low-temperature reduction response, which together are associated with its superior catalytic performance. By contrast, Mn 2 O 3 , LaMnO 3 , and Mn 3 O 4 show less favorable oxygen-release, reduction responses and lower catalytic performance. These results identify MnO 6 connectivity as a structural feature associated with the oxygen-release and redox characteristics relevant to MvK oxidation. In-situ DRIFTS further revealed that MnO 2 accelerated the formation and consumption of enolic intermediates during acetone oxidation, thereby limiting intermediate accumulation and promoting deep oxidation. Overall, the combined results support a connectivity-centered interpretation of the MvK process, in which MnO 6 connectivity provides an upstream structural context for oxygen delivery and redox cycling, whereas oxygen dynamics constitutes the more immediate mechanistic link to VOC oxidation performance. This connectivity-centered perspective provides a structural basis for tuning the redox properties of Mn-based oxides and supports the development of efficient catalysts for VOC emission control.

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FUEL · 2025 · IF 7.5

Flowerlike structured Cu promoted MnOx catalysts for VOC oxidation: Enhanced water vapor resistance in simulated coal-fired flue gas

Xiao Zhang,Xueying Zhang,Cai Liang,Feng Shen,Boxiong Shen

Water poisoning remains a significant challenge for Mn-based catalysts in the purification of low-temperature industrial flue gas. In this study, a water-resistant catalyst, Cu-doped MnO x dispersed on a flower-like hollow sphere carrier (Cu 0.1 Mn 1 -Al 2 O 3 (NF)), was developed. The introduction of 5 % water vapor into simulated flue gas reduced the o-xylene oxidation efficiency of the unmodified MnO x /γ-Al 2 O 3 catalyst by 20 %, whereas Cu 0.1 Mn 1 -Al 2 O 3 (NF) exhibited only a 5 % reduction, and it shows a water resistance surpasses those of most of the reported MnO x catalysts. Upon water vapor withdrawal, Cu 0.1 Mn 1 -Al 2 O 3 (NF) showed a 2 % irreversible efficiency loss, compared to 9 % for MnO x /γ-Al 2 O 3 . Mechanistic studies highlight the role of the flower-like morphology in reducing hydrogen-bonded H 2 O and the primary contribution of Cu + doping in suppressing –OH generation on metal sites, likely due to weakened H 2 O dissociation at Mn-Ov-Cu oxygen vacancies. Additionally, Cu 0.1 Mn 1 -Al 2 O 3 (NF) has improved water desorption capability evidenced by 8 °C lower endothermic temperature for H 2 O volatilization than that of MnO x /γ-Al 2 O 3 . Furthermore, a H 2 O-involved Mars-van Krevelen (MvK) mechanism was proposed to explain the ∼ 2 % irreversible efficiency reduction for Cu 0.1 Mn 1 -Al 2 O 3 (NF) in wet gas − attributed to H 2 O dissociation at oxygen vacancies hindered lattice oxygen replenishment. Based on this mechanism, an air-purging regeneration protocol was developed to enhance the catalyst’s operational stability under wet flue gas conditions.

CAS / MDL: 7778-80-5
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FOOD CHEMISTRY · 2023 · IF 8.8

Highly sensitive and selective Sb2WO6 microspheres in detecting VOC biomarkers in cooked rice: Experimental and density functional theory study

Chao Zhang,Zichen Zheng,Kewei Liu,Marc Debliquy,Qiaoquan Liu

The palatability of cooked rice is susceptible to the flavor and effective detection of volatile organic compounds (VOCs) can avoid deterioration and improve the taste quality. Herein, hierarchical antimony tungstate (Sb 2 WO 6 ) microspheres are synthesized through a solvothermal process and the effect of solvothermal temperature on the room temperature gas-sensing properties of gas sensors is investigated. Outstanding sensitivity towards VOC biomarkers (nonanal, 1-octanol, geranyl acetone and 2-pentylfuran) in cooked rice is achieved and the sensors exhibit remarkable stability and reproducibility, which are contributed to the formation of the hierarchical microsphere structure, larger specific surface area, narrower band gap and increased oxygen vacancy content. The kinetic parameters combined with principal component analysis (PCA) effectively distinguish the four VOCs while the enhanced sensing mechanism was substantiated through density functional theory (DFT) calculation. This work provides a strategy for fabricating high performance Sb 2 WO 6 gas sensors which can be practically applied to food industry.

研究领域: 食品科学 · 材料科学 · 化学
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ANALYTICA CHIMICA ACTA · 2026 · IF 6.1

Flower-like ZIF-L@Au NTs composite integrated with enrichment-enhancement ability for SERS detection of lung cancer VOC biomarker

Yanxiao Quan,Guojun Weng,Jian Zhu,Jianjun Li,Junwu Zhao

Background Volatile organic compounds (VOCs) in human exhaled breath serve as molecular fingerprints that reflect metabolic dysregulation and can indicate the onset and progression of diseases such as lung cancer. Surface-enhanced Raman scattering (SERS), characterized by its high sensitivity, molecular specificity, and tolerance to humidity, offers a promising approach for breath analysis. However, the intrinsically weak Raman activity of exhaled biomarkers and poor gas adsorption on solid substrates still hinder its practical implementation. Therefore, it is essential to develop a SERS-based breath sensor that simultaneously enables signal amplification, gas enrichment, rapid operation, and cost-effectiveness. Results This study presents a novel ultrasensitive SERS sensing platform based on a core-shell ZIF-L@Au NTs composite, integrating high sensitivity, selectivity, and rapid detection capabilities. The anisotropic gold nanotriangles (Au NTs), serving as the plasmonic core, exhibit excellent structural stability and strong electromagnetic field enhancement. The outer ZIF-L metal-organic framework (MOF) shell facilitates the selective adsorption and pre-enrichment of target analytes, while its confinement effect synergistically amplifies the SERS signal, markedly improving detection sensitivity. As a result, the system enables reliable quantification of 4-ethylbenzaldehyde in the concentration range of 10 −4 -10 −8  M, achieving a detection limit down to the sub-ppm level with high stability and repeatability. Simulated detection of the potential lung cancer biomarker 4-ethylbenzaldehyde demonstrated the platform's strong enrichment capability and outstanding sensing performance. Significance This work establishes an ascorbic-acid-directed strategy to construct flower-like ZIF-L and, for the first time, integrates gold nanotriangles with a metal-organic framework into a core-shell ZIF-L@Au NTs SERS platform. The synergistic combination of MOF-based gas enrichment, sharp-tip plasmonic hot spots and 4-ATP/aldehyde chemistry enables sub-ppm level detection of exhaled 4-ethylbenzaldehyde, highlighting a promising route for non-invasive breath diagnostics.

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LANGMUIR · 2025 · IF 3.9

Efficient Regeneration of Waste Styrene Adsorption Carbon Catalyzed by Spinel NiCo2O4 Active Sites and Cyclic VOC Adsorption and Desorption Performance

Xuning Li,Yunpeng Li,Lin Wang,Jun Liu,Lin Chen,Xiao Zhu,Jingcheng Hao,Yongliang Ma,Junhua Li,Xu Wu

During thermal regeneration of styrene-saturated activated carbon (AC), styrene’s C=C bonds are prone to polycondensation. It forms fixed carbon species that deposit as carbonaceous residues within AC pores, significantly decreasing the adsorption performance. To address this challenge for efficient AC regeneration and recycling, Ni and Co transition metal components were loaded onto AC and subsequently pyrolyzed to generate NiCo2O4 active species. The optimal Ni–Co loading amount was determined to be 5 wt %. Under these conditions, the adsorbent exhibited optimal cyclic adsorption performance, maintaining 75% of its initial capacity after four consecutive adsorption–regeneration cycles. Comprehensive characterization revealed that the 2.5Ni-2.5Co-AC formulation maximized AC recyclability, and this enhanced performance is attributed to the well-dispersed NiCo2O4 species and the formation of carbon defect sites within the adsorbent. This study presents a novel strategy and provides a scientific basis for solving the regeneration problem of styrene-adsorbed activated carbon.

CAS / MDL: 10026-22-9 13478-00-7
研究领域: 环境工程 · 化学工程 · 材料科学 · 催化 · 吸附技术
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SENSORS AND ACTUATORS B-CHEMICAL · 2020 · IF 7.1

Microhotplate gas sensors incorporated with Al electrodes and 3D hierarchical structured PdO/PdO2-SnO2:Sb materials for sensitive VOC detection

Hao Wu,Jun Yu,Zhongzhou Li,Guanyu Yao,Rui Cao,Xiaogan Li,Huichao Zhu,Aixiang He,Zhenan Tang

High-performance, low-power microhotplate (MHP) gas sensors loaded with 3D hierarchical structured PdO/PdO 2 -SnO 2 :Sb materials on a pair of Al gas sensing electrodes were fabricated through advanced high-accuracy electrohydrodynamic printing method. The PdO/PdO 2 -SnO 2 :Sb materials with various PdO/PdO 2 concentrations were initially synthesized via a mild and simple hydrothermal reaction. Their micromorphology and chemical composition were characterized by SEM, XRD, TEM, and XPS, which proved the successful synthesis. The gas sensing performance of the sensors to benzene, ethanol, acetone, formaldehyde, and ethanol-acetone mixed gas (volume ratio 1:1) was tested. The sensing property of the materials is regulated with different content of PdO/PdO 2 . The identification of the VOCs is realized by two-step principal component analysis (PCA). Simulation calculations on the I–V characteristic of the MHP gas sensors reveal that carriers have to get through Al 2 O 3 barriers by Poole-Frenkel emission, which significantly affects the carrier conduction as well as the gas sensing properties. The gas sensing mechanism is analyzed from the aspects of gas sensing material and electrodes.

研究领域: 材料科学 · 传感器技术 · 化学
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ELECTROCHIMICA ACTA · 2019 · IF 5.383

Vapor-assisted deposition of CsPbIBr2 films for highly efficient and stable carbon-based planar perovskite solar cells with superior Voc

Xingyue Liu,Junjie Li,Zhiyong Liu,Xianhua Tan,Bo Sun,Shuang Xi,Tielin Shi,Zirong Tang,Guanglan Liao

CsPbIBr 2 perovskite , as a promising light harvester, possesses the most balanced bandgap and stability characters among all-inorganic perovskite materials. However, the poor quality of the traditionally one-step solution-processed CsPbIBr 2 film always leads to a severe recombination loss and thus a low output potential difference ( V oc ). Herein, we demonstrate a novel vapor-assisted deposition strategy to construct high-quality CsPbIBr 2 films for the first time, in which the crystallization kinetics of the CsPbIBr 2 is more easily controllable than that of the one-step spin-coated one. The PbBr 2 film acting as the template in the CsPbIBr 2 crystal growth is firstly prepared via an antisolvent-washing technique and CsI is then vacuum evaporated onto the PbBr 2 layer. By precisely tuning the thickness of the CsI film, highly phase-pure and crystallized CsPbIBr 2 crystals are successfully obtained. The optimized CsPbIBr 2 film also exhibits a homogeneous morphology and full coverage over the substrate with large grain sizes up to microscale and ultrahigh light absorption capability. The corresponding carbon-based CsPbIBr 2 solar cells achieve a champion power conversion efficiency of 8.76% with a superior V oc of 1.289 V. The large-area (1 cm 2 ) devices also deliver an efficiency of 6.78% with an impressive V oc of 1.336 V. Moreover, under the protection of the highly hydrophobic and chemically stable CuPc layer and carbon counter electrode, the unencapsulated devices present excellent moisture and thermal stabilities. Our work provides a new approach for the preparation of cost-effective, highly efficient and robust CsPbIBr 2 photovoltaics.

研究领域: 材料科学 · 能源科学 · 光伏技术
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ADVANCED FUNCTIONAL MATERIALS · 2023 ·Vol. 33 ·期 11 ·2212606 · IF 19

24.64%-Efficiency MA-Free Perovskite Solar Cell with Voc of 1.19 V Enabled by a Hinge-Type Fluorine-Rich Complex

Zhijun Li,Meizi Wu,Lu Yang,Kunpeng Guo,Yuwei Duan,Yong Li,Kun He,Yifan Xing,Zheng Zhang,Hui Zhou,Dongfang Xu,Jungang Wang,Hong Zou,Da Li,Zhike Liu

High density of defects at interface severely affects the performance of perovskite solar cells (PSCs). Herein, cobalt (II) hexafluoro-2,4-pentanedionat (CoFAc), a hinge-type fluorine-rich complex, is introduced onto the surface of formamidinium cesium lead iodide (FACsPbI 3 ) film to address the issues of perovskite/Spiro-OMeTAD interface. The existence of CoFAc passivates both organic cation and halide anion vacancies by establishing powerful hydrogen bonds with HC(NH 2 ) 2 + (FA + ) and strong ionic bonds with Pb 2+ in perovskite films. In addition, CoFAc serves as a connecting link to enhance interfacial hole-transport kinetics via interacting with Spiro-OMeTAD. Consequently, FACsPbI 3 PSCs with CoFAc modification display a champion power conversion efficiency (PCE) of 24.64% with a charming open-circuit voltage ( V OC ) of 1.191 V, which is the record V OC among all the reported organic-inorganic hybrid PSCs with TiO 2 as electron transport layer. Furthermore, CoFAc-modified devices exhibit an outstanding long-term stability, which can maintain 95% of their initial PCEs after exposure to ambient atmosphere for 1500 h without any encapsulation.

CAS / MDL: 67-68-5 68-12-2 67-63-0
研究领域: 材料科学 · 能源技术
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Journal of Materials Chemistry A · 2020 ·Vol. 9 ·期 1 ·413-422 · IF 11.301

Synergistic incorporation of NaF and CsF PDT for high efficiency kesterite solar cells: unveiling of grain interior and grain boundary effects

Xiaohuan Chang,Junjie Fu,Dongxing Kou,Wenhui Zhou,Zhengji Zhou,Shengjie Yuan,Yafang Qi,Zhi Zheng,Sixin Wu

The introduction of alkali metal (AM) post-deposition treatment (PDT) has led to the consecutive breakthrough of world record efficiencies for Cu(In,Ga)Se2 photovoltaics. However, for the derivative Cu2SnZn(S,Se)4 (CZTSSe) solar cells, the corresponding verdict seems partially unjustified due to the difference in defect chemical environment and phase structure, and the most effective incorporation means of AMs is still a mystery. In this work, for the first time, we developed a dual AM synergistic incorporation strategy combining light and heavy AMs by post-depositing CsF after NaF-PDT to improve the efficiency of CZTSSe solar cells. The relevant microscopic-electrical advantages with regard to the different roles of NaF and CsF PDT are discussed in more detail. It was found that the Na atoms are randomly dispersed both in the grain interior (GI) and grain boundaries (GBs), significantly increasing the acceptor concentration and passivating the deep level defects to enhance the Voc. In contrast, the Cs atoms are mainly segregated at the GBs, primarily increasing the potential of the GBs and improving the FF. The prominent electric benefits of Cs at the GBs and Na in the GI finally increase the device efficiency from 10.12% to 12.16%. Our findings solve the difficulty in obtaining the available Voc and FF for future high efficiency research and should serve as a basis for the in-depth understanding of AM-PDT in kesterite photovoltaics.

研究领域: 材料科学 · 光伏技术 · 半导体物理
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Journal of Energy Chemistry · 2022 · IF 13.599

A feasible and effective solution-processed PCBM electron extraction layer enabling the high VOC and efficient Cu2ZnSn(S, Se)4 devices

Licheng Lou,Yuancai Gong,Jiazheng Zhou,Jinlin Wang,Xiao Xu,Kang Yin,Biwen Duan,Huijue Wu,Jiangjian Shi,Yanhong Luo,Dongmei Li,Hao Xin,Qingbo Meng

Photo-generated carrier recombination loss at the CZTSSe/CdS front interface is a key issue to the open-circuit voltage ( V OC ) deficit of Cu 2 ZnSnS x Se 4− x (CZTSSe) solar cells. Here, by the aid of an easy-handling spin-coating method, a thin PCBM ([6,6]-phenyl-C61-butyric acid methyl ester) layer as an electron extraction layer has been introduced on the top of CdS buffer layer to modify CZTSSe/CdS/ZnO-ITO (In 2 O 3 :Sn) interfacial properties. Based on Sn 4+ /DMSO (dimethyl sulfoxide) solution system, a total-area efficiency of 12.87% with a V OC of 529 mV has been achieved. A comprehensive investigation on the influence of PCBM layer on carrier extraction, transportation and recombination processes has been carried out. It is found that the PCBM layer can smooth over the CdS film roughness, thus beneficial for a dense and flat window layer. Furthermore, this CZTSSe/CdS/PCBM heterostructure can accelerate carrier separation and extraction and block holes from the front interface as well, which is mainly ascribed to the downward band bending of the absorber and a widened space charge region. Our work provides a feasible way to improve the front interfacial property and the cell performance of CZTSSe solar cells by the aid of organic interfacial materials.

研究领域: 材料科学 · 太阳能 · 光伏技术
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CHEMICAL ENGINEERING JOURNAL · 2024 · IF 13.3

Inorganic siloxane-modified nanosheet-assembled MnOx hollow sphere catalyst for VOC removal from coal-fired flue gas: Enhanced water resistance and Activity

Ting Huang,Yunyi Ge,Xiao Zhang,Boxiong Shen,Feng Shen

Water poisoning of catalysts presents a significant practical challenge in the removal of pollutants from coal-fired flue gas. Herein, a highly water-resistance Mn catalyst, with a structure of hollow spheres (NS) assembled by nanosheets and modified by inorganic siloxane was developed. The hydrophobic catalyst (Mn-Si 0.06 /NS) showed a 50% increase in VOC removal efficiency compared to Mn/Al 2 O 3 when exposed to wet flue gas containing 10 vol% water vapor. Strikingly, Mn-Si 0.06 /NS exhibited robust SO 2 resistance, especially under flue gas with high water vapor content. Mechanistic results shows that the enhanced water resistance of catalyst resulted from the synergy between morphological structure and the inorganic siloxane modification. DRIFTS and XPS analyses showed that the catalyst effectively prevented the water poisoning effect, which involves lattice oxygen consumption and transformation. The ability of catalyst to utilize oxygen under wet flue gas was also confirmed by product analysis, which revealed a clear preference for the oxidation reaction path of o-xylene compared with Mn/Al 2 O 3 . Molecular dynamics (MD) simulations show the dynamic scenario of VOC and water vapor adsorption on the catalysts and provide an intuitive picture of the catalysts' water resistance.

研究领域: 环境催化 · 材料科学 · 大气污染控制 · 化学工程
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Sustainable Energy & Fuels · 2022 ·Vol. 7 ·期 3 ·727-734 · IF 6.813

Energy level modulation of TiO2 using amino trimethylene phosphonic acid for efficient perovskite solar cells with an average VOC of 1.19 V

Xiaopeng Yue,Bingbing Fan,Xing Zhao,Yingying Yang,Shujie Qu,Qiang Zhang,Xin Sun,Peng Cui,Junfeng Ma,Meicheng Li

The performance of planar perovskite solar cells (PSCs) is closely linked to the charge extraction and transfer in electron transporting layers (ETLs). To achieve a good control of the photoelectric properties of TiO2 ETLs, we introduce amino trimethylene phosphonic (ATMP) acid into the chemical bath deposition (CBD) process of TiO2 films. ATMP can effectively control the crystal growth of TiO2 particles to get an optimized ETL with preferable band energy and surface topography, which is beneficial for the energy level alignment and interface contact between the ETL and perovskite active layer. Compared to the control devices, the open circuit voltage (VOC) of PSCs with ATMP–TiO2 is increased from 1.17 V to 1.19 V, achieving a higher average power conversion efficiency (PCE) of 24.10%. The enhanced performance of ATMP–TiO2 PSCs is attributed to suppressed defects and well-matched energy level alignment at the perovskite/ETL interface, efficiently facilitating charge carrier extraction and electron transport. This work sheds light on designing an efficient ETL by tuning the precursor solution with environmental and inexpensive modifiers toward PSCs exhibiting outstanding performances.

CAS / MDL: 6419-19-8 7550-45-0
研究领域: 材料科学 · 能源技术
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