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学者姓名：邢万东
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Abstract ：
Constructing heterointerfaces with space charge areas can effectively drive carrier transport. However, it is difficult to further enhance the interfacial bond strength to improve the built-in potential difference across the interface by directly modulating the interfacial atomic configuration. Herein, we have directly regulated the atomic structures of ZnO/CoO heterointerfaces by means of the phase transition of the rocksalt CoO to spinel Co3O4 under a high-energy electron beam. The results show that irradiation of electron beams can drive the orderly migration and aggregation of Co vacancies as well as the rearrangement of lattice Co atoms from octahedral sites to tetrahedral sites, causing the formation of spinel Co3O4. DFT calculations demonstrate that O atoms adjected to four-coordinated Co atoms are strongly coupled with the Zn atoms, enhancing interfacial polarization to facilitate the charge transfer. This finding provides a novel idea for the design of heterojunctions with high-efficiency charge transport.
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| GB/T 7714 | Zhao, Quanpan , Zhao, Yanan , Wang, Mingyue et al. Atomic Manipulation of Metal Oxide Heterointerfaces by Electron Beam Illumination [J]. | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2025 , 16 (8) : 1865-1872 . |
| MLA | Zhao, Quanpan et al. "Atomic Manipulation of Metal Oxide Heterointerfaces by Electron Beam Illumination" . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS 16 . 8 (2025) : 1865-1872 . |
| APA | Zhao, Quanpan , Zhao, Yanan , Wang, Mingyue , Xue, Sikang , Yu, Rong , Xing, Wandong . Atomic Manipulation of Metal Oxide Heterointerfaces by Electron Beam Illumination . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2025 , 16 (8) , 1865-1872 . |
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Presented herein are the delicate design and synthesis of S-scheme NiTiO3 /CdS heterostructures composed of CdS nanoparticles anchored on the surface of NiTiO3 nanorods for photocatalytic CO2 reduction. Systematic physicochemical studies demonstrate that NiTiO3 /CdS hybrid empowers superior light absorption and enhanced CO2 capture and activation. Electron spin resonance validates that the charge carriers in NiTiO3 /CdS follow a S-scheme transfer pathway, which powerfully impedes their recombination and promotes their separation. Importantly, the photogenerated holes on CdS are effectively consumed at the hero-interface by the electron from NiTiO3 , preventing the photo-corrosion of the metal sulfide. As a result, with Co(bpy)3 2 + as a cocatalyst, NiTiO3 /CdS displays a considerable performance for CO2 reduction, affording a high CO yield rate of 20.8 mu mol h-1 . Moreover, the photocatalyst also manifests substantial stability and good reusability for repeated CO2 reaction cycles in the created tandem photochemical system. In addition, the possible CO2 photoreduction mechanism is constructed on the basis of the intermediates monitored by in-situ diffuse reflectance infrared Fourier transform spectroscopy. (c) 2025 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.
Keyword ：
CO 2 reduction CO 2 reduction Heterojunction Heterojunction NiTiO3 NiTiO3 Photocatalysis Photocatalysis S-scheme S-scheme
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| GB/T 7714 | Cai, Junjian , Li, Xinyu , Su, Bo et al. Rational design and fabrication of S-scheme NiTiO3 /CdS heterostructures for photocatalytic CO2 reduction [J]. | JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY , 2025 , 234 : 82-89 . |
| MLA | Cai, Junjian et al. "Rational design and fabrication of S-scheme NiTiO3 /CdS heterostructures for photocatalytic CO2 reduction" . | JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY 234 (2025) : 82-89 . |
| APA | Cai, Junjian , Li, Xinyu , Su, Bo , Guo, Binbin , Lin, Xiahui , Xing, Wandong et al. Rational design and fabrication of S-scheme NiTiO3 /CdS heterostructures for photocatalytic CO2 reduction . | JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY , 2025 , 234 , 82-89 . |
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Surface atomic structure is closely related to the physical and chemical properties of materials. Although cupric oxide (CuO) surfaces have been widely reported, to the best of our knowledge, the low Miller index and easily exposed CuO(0 0 1) surface has not been yet investigated in experiments at the atomic scale. Herein, for the first time, we report the atomic structures of CuO(0 0 1) surface combining aberration-corrected scanning transmission electron microscopy and first-principles calculations. Interestingly, akin to the (1 1 1) surfaces of FeO, CoO and NiO, a unusual tetrahedral reconstructed structure was revealed for the CuO(0 0 1) surface. The low energy barrier from square-planar to tetrahedral coordination for the surface CuO4 unit was found by the climbing-image nudged-elastic band method. © 2024 Elsevier B.V.
Keyword ：
Atoms Atoms Cobalt compounds Cobalt compounds Copper oxides Copper oxides Crystal atomic structure Crystal atomic structure High resolution transmission electron microscopy High resolution transmission electron microscopy Iron oxides Iron oxides Nickel oxide Nickel oxide Scanning electron microscopy Scanning electron microscopy
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| GB/T 7714 | Wang, Mingyue , Li, Xiaoyan , Zeng, Xiangkai et al. Surface reconstruction in the CuO(001) surface: From square-planar to tetrahedral coordination for CuO4 unit [J]. | Applied Surface Science , 2024 , 670 . |
| MLA | Wang, Mingyue et al. "Surface reconstruction in the CuO(001) surface: From square-planar to tetrahedral coordination for CuO4 unit" . | Applied Surface Science 670 (2024) . |
| APA | Wang, Mingyue , Li, Xiaoyan , Zeng, Xiangkai , Zhao, Quanpan , Zhang, Mengmeng , Meng, Fanyan et al. Surface reconstruction in the CuO(001) surface: From square-planar to tetrahedral coordination for CuO4 unit . | Applied Surface Science , 2024 , 670 . |
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Defect engineering has been widely applied in semiconductors to improve photocatalytic properties by altering the surface structures. This study is about the transformation of inactive WO 3 nanosheets to a highly effective CO 2 - to - CH 4 conversion photocatalyst by introducing surface - ordered defects in abundance. The nonstoichiometric WO 3 - x samples were examined by using aberration - corrected electron microscopy. Results unveil abundant surface - ordered terminations derived from the periodic {013} stacking faults with a defect density of 20.2%. The {002} surface - ordered line defects are the active sites for fixation CO 2 , transforming the inactive WO 3 nanosheets into a highly active catalyst (CH 4 : O 2 = 8.2: 16.7 mu mol h -1 ). We believe that the formation of the W - O - C - W - O species is a critical step in the catalytic pathways. This work provides an atomic - level comprehension of the structural defects of catalysts for activating small molecules.
Keyword ：
CO 2 conversion CO 2 conversion induced polarization induced polarization photocatalysis photocatalysis surface- ordered defects surface- ordered defects unsaturated coordination unsaturated coordination
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| GB/T 7714 | Xue, Sikang , Wei, Changgeng , Shen, Min et al. Enriching surface- ordered defects on WO3 for photocatalytic CO2-to-CH4 conversion by water [J]. | PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA , 2024 , 121 (18) . |
| MLA | Xue, Sikang et al. "Enriching surface- ordered defects on WO3 for photocatalytic CO2-to-CH4 conversion by water" . | PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 121 . 18 (2024) . |
| APA | Xue, Sikang , Wei, Changgeng , Shen, Min , Liang, Xiaocong , Wang, Jiali , Yang, Can et al. Enriching surface- ordered defects on WO3 for photocatalytic CO2-to-CH4 conversion by water . | PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA , 2024 , 121 (18) . |
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The photoreduction of the CO2 reaction is a potential technique for converting solar energy to fuel at room temperature, which speeds up the recycling and conversion of carbon compounds. Based on a highly active photocatalyst, however, disentangling the chemical environments of surface structures on the selectivity of the product at the atomic scale is challenging. Herein, we have explored a sulfur-assisted heat treatment strategy to induce the reconstruction from surface-ordered line defects to polygonal tungsten line defects, changing the main product from CH4 (8.2 mu mol h(-1), 5 mg) to CO (13.0 mu mol h(-1), 5 mg) without any additive sacrificial agents. The experimental results reveal that the active sites are the surface terminations of the hexagonal-tungsten line defect, where the in-plane-neighboring W atoms can break the C-O bonds inside the *COOH intermediates, thereby promoting the desorption of CO gas.
Keyword ：
atomic level atomic level CO2 activation CO2 activation defect engineering defect engineering photocatalysis photocatalysis surface reconstruction surface reconstruction
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| GB/T 7714 | Shen, Min , Ye, Yan , Wang, Mingyue et al. Engineering the Atomic Configurations of Surface-Active Sites for Retuning the Photoreduction CO2 Selectivity [J]. | ACS CATALYSIS , 2024 , 14 (21) : 15908-15915 . |
| MLA | Shen, Min et al. "Engineering the Atomic Configurations of Surface-Active Sites for Retuning the Photoreduction CO2 Selectivity" . | ACS CATALYSIS 14 . 21 (2024) : 15908-15915 . |
| APA | Shen, Min , Ye, Yan , Wang, Mingyue , Liang, Xiaocong , Tang, Hao , Wang, Yulan et al. Engineering the Atomic Configurations of Surface-Active Sites for Retuning the Photoreduction CO2 Selectivity . | ACS CATALYSIS , 2024 , 14 (21) , 15908-15915 . |
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Strong excitonic effects are common in organic conjugated polymer semiconductors, severely hindering the generation of free charge carriers for conducting photocatalysis. Therefore, exploring new channels to modulate exciton dissociation in polymers is far-reaching in facilitating photocatalysis. A series of B-N Lewis pair functionalized conjugated polymers have been developed to minimize exciton effects by modulating charge transfer pathways. Theoretical studies have shown that introducing B-N Lewis pairs can dramatically increase the distance of charge transfer (D index) and the amount of electron transfer and reduce the Coulomb attraction energy (EC), which contributes to breaking the equilibrium of the coexistence of excitons and charge carriers. Further experimental results show that the singlet excitons are efficiently dissociated into more free-charge carriers under photoexcitation to participate in surface reactions. The optimized polymer PyPBM shows an exponential increase in photocatalytic hydrogen and hydrogen peroxide production performance by visible light illumination.
Keyword ：
B-N Lewis pair B-N Lewis pair Conjugated polymers Conjugated polymers Exciton binding energy Exciton binding energy Exciton effects Exciton effects Photocatalyst Photocatalyst
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| GB/T 7714 | Ru, Chenglong , Nie, Xiaoyu , Lan, Zhi-An et al. Regulation of Exciton Effects in Functionalized Conjugated Polymers by B-N Lewis Pairs for Visible-Light Photocatalysis [J]. | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 2024 , 64 (5) . |
| MLA | Ru, Chenglong et al. "Regulation of Exciton Effects in Functionalized Conjugated Polymers by B-N Lewis Pairs for Visible-Light Photocatalysis" . | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 64 . 5 (2024) . |
| APA | Ru, Chenglong , Nie, Xiaoyu , Lan, Zhi-An , Pan, Zhiming , Xing, Wandong , Wang, Sibo et al. Regulation of Exciton Effects in Functionalized Conjugated Polymers by B-N Lewis Pairs for Visible-Light Photocatalysis . | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 2024 , 64 (5) . |
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Surface atomic structure is closely related to the physical and chemical properties of materials. Although cupric oxide (CuO) surfaces have been widely reported, to the best of our knowledge, the low Miller index and easily exposed CuO(001) surface has not been yet investigated in experiments at the atomic scale. Herein, for the first time, we report the atomic structures of CuO(001) surface combining aberration-corrected scanning transmission electron microscopy and first-principles calculations. Interestingly, akin to the (1 1 1) surfaces of FeO, CoO and NiO, a unusual tetrahedral reconstructed structure was revealed for the CuO(001) surface. The low energy barrier from square-planar to tetrahedral coordination for the surface CuO 4 unit was found by the climbing-image nudged-elastic band method.
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| GB/T 7714 | Wang, Mingyue , Li, Xiaoyan , Zeng, Xiangkai et al. Surface reconstruction in the CuO(001) surface: From square-planar to tetrahedral coordination for CuO4 unit [J]. | APPLIED SURFACE SCIENCE , 2024 , 670 . |
| MLA | Wang, Mingyue et al. "Surface reconstruction in the CuO(001) surface: From square-planar to tetrahedral coordination for CuO4 unit" . | APPLIED SURFACE SCIENCE 670 (2024) . |
| APA | Wang, Mingyue , Li, Xiaoyan , Zeng, Xiangkai , Zhao, Quanpan , Zhang, Mengmeng , Meng, Fanyan et al. Surface reconstruction in the CuO(001) surface: From square-planar to tetrahedral coordination for CuO4 unit . | APPLIED SURFACE SCIENCE , 2024 , 670 . |
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Hybridizing two heterocomponents to construct a built-in electric field (BIEF) at the interface represents a significant strategy for facilitating charge separation in carbon dioxide (CO2)-photoreduction. However, the unidirectional nature of BIEFs formed by various low-dimensional materials poses challenges in adequately segregating the photogenerated carriers produced in bulk. In this study, leveraging zinc oxide (ZnO) nanodisks, a sulfurization reaction is employed to fabricate Z-scheme ZnO/zinc sulfide (ZnS) heterojunctions featuring a multiple-order BIEF. These heterojunctions reveal distinctive interfacial structures characterized by two semicoherent phase boundaries. The cathodoluminescence 2D maps and density functional theory calculation results demonstrate that the direction of the multiple-order BIEF spans from ZnS to ZnO. This directional alignment significantly fosters the spatial separation of photogenerated electrons and holes within ZnS nanoparticles and enhances CO2-to-carbon monoxide photoreduction performance (3811.7 mu mol h(-1) g(-1)). The findings present a novel pathway for structurally designing BIEFs within heterojunctions, while providing fresh insights into the migratory behavior of photogenerated carriers across interfaces.
Keyword ：
built-in electric field built-in electric field CO2 photoreduction CO2 photoreduction heterojunctions heterojunctions interfacial structures interfacial structures photocatalysis photocatalysis
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| GB/T 7714 | Xue, Sikang , Tang, Hao , Shen, Min et al. Establishing Multiple-Order Built-In Electric Fields Within Heterojunctions to Achieve Photocarrier Spatial Separation [J]. | ADVANCED MATERIALS , 2024 , 36 (16) . |
| MLA | Xue, Sikang et al. "Establishing Multiple-Order Built-In Electric Fields Within Heterojunctions to Achieve Photocarrier Spatial Separation" . | ADVANCED MATERIALS 36 . 16 (2024) . |
| APA | Xue, Sikang , Tang, Hao , Shen, Min , Liang, Xiaocong , Li, Xiaoyan , Xing, Wandong et al. Establishing Multiple-Order Built-In Electric Fields Within Heterojunctions to Achieve Photocarrier Spatial Separation . | ADVANCED MATERIALS , 2024 , 36 (16) . |
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Fluorite-perovskite heterointerfaces garner great interest for enhanced ionic conductivity for application in electronic and energy devices. However, the origin of observed enhanced ionic conductivity as well as the details of the atomic structure at these interfaces remain elusive. Here, systematic, multi-stoichiometry computational searches and experimental investigations are performed to obtain stable and exact atomic structures of interfaces between CeO2 and SrTiO3-two archetypes of the corresponding structural families. Local reconstructions take place at the interface because of mismatched lattices. TiO2 terminated SrTiO3 causes a buckled rock salt CeO interface layer to emerge. In contrast, SrO terminated SrTiO3 maintains the fluorite structure at the interface compensated by a partially occupied anion lattice. Moderate enhancement in oxygen diffusion is found along the interface by simulations, yet evidence to support further significant enhancement is lacking. Our findings demonstrate the control of interface termination as an effective pathway to achieve desired device performance.
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| GB/T 7714 | Zhu, Bonan , Schusteritsch, Georg , Li, Weiwei et al. Structure and ionic conduction enhancement mechanisms at CeO2/SrTiO3 heterointerfaces [J]. | APPLIED PHYSICS REVIEWS , 2024 , 11 (2) . |
| MLA | Zhu, Bonan et al. "Structure and ionic conduction enhancement mechanisms at CeO2/SrTiO3 heterointerfaces" . | APPLIED PHYSICS REVIEWS 11 . 2 (2024) . |
| APA | Zhu, Bonan , Schusteritsch, Georg , Li, Weiwei , Xing, Wandong , Yu, Rong , Pickard, Chris J. et al. Structure and ionic conduction enhancement mechanisms at CeO2/SrTiO3 heterointerfaces . | APPLIED PHYSICS REVIEWS , 2024 , 11 (2) . |
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Understanding the relationship of competitive adsorption between reactants is the prerequisite for high activity and selectivity in heterogeneous catalysis, especially the difference between the adsorption energies (E-ads) of two reactive intermediates in Langmuir-Hinshelwood (L-H) models. Using oxidative dehydrogenation of hydrogen sulfide (H2S-ODH) as a probe, we develop various metal single atoms on nitrogen-doped carbon (M-NDC) catalysts for controlling E-ads-H2S, E-ads-O-2 and investigating the difference in activity and selectivity. Combining theoretical and experimental results, a Sabatier relationship between the catalytic performance and E-ads-O-2/E-ads-H2S emerges. Mn-NDC as the optimal catalyst shows excellent H2S conversion (>90 %) and sulfur selectivity (>90 %) in a wide range of O-2 concentrations over 100 h. Such a high-efficiency performance is attributed to appropriate E-ads-H2S and E-ads-O-2 on Mn-N-4 sites, boosting redox cycle between Mn2+ and Mn3+, as well as preferential formation of sulfur. This work provides a fundamental guidance for designing Sabatier optimal catalysts in L-H models.
Keyword ：
high-efficiency reactivity descriptors high-efficiency reactivity descriptors nitrogen-doped carbon nitrogen-doped carbon Sabatier principle Sabatier principle selective oxidative desulfurization selective oxidative desulfurization single atoms single atoms
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| GB/T 7714 | Ye, Hanfeng , Xing, Wandong , Zhao, Fei et al. Sabatier Optimal of Mn-N4 Single Atom Catalysts for Selective Oxidative Desulfurization [J]. | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 2024 , 64 (7) . |
| MLA | Ye, Hanfeng et al. "Sabatier Optimal of Mn-N4 Single Atom Catalysts for Selective Oxidative Desulfurization" . | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 64 . 7 (2024) . |
| APA | Ye, Hanfeng , Xing, Wandong , Zhao, Fei , Wang, Jiali , Yang, Can , Hou, Yidong et al. Sabatier Optimal of Mn-N4 Single Atom Catalysts for Selective Oxidative Desulfurization . | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 2024 , 64 (7) . |
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