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学者姓名：孙少瑞
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摘要 ：
本发明公布等离子溅射法快速合成一种单原子催化剂的方法及其应用，催化剂载体和活性金属均由等离子溅射方法合成，合成的Pt1/TiOx单原子催化剂催化性能优异。以玻碳片、钛网、不锈钢片、碳纸等作为基板，以载体靶材和活性金属靶材为原料；将基板置于载物台，采用三靶材等离子溅射仪将载体和活性金属交替溅射沉积在基板上，交替沉积若干次即可得到催化剂样品。本发明具有活性金属负载量可控、合成速度快、工艺简单、能耗低等优点，例子中制备的催化剂在过电位50mv时，质量比活性和转换效率(TOF)分别是20％商业铂炭的11.05倍和3.5倍。
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| GB/T 7714 | 孙少瑞 , 田业星 , 王慧敏 et al. 等离子溅射法快速合成一种单原子催化剂的方法及其应用 : CN202110018820.3[P]. | 2021-01-07 . |
| MLA | 孙少瑞 et al. "等离子溅射法快速合成一种单原子催化剂的方法及其应用" : CN202110018820.3. | 2021-01-07 . |
| APA | 孙少瑞 , 田业星 , 王慧敏 , 王亚鑫 . 等离子溅射法快速合成一种单原子催化剂的方法及其应用 : CN202110018820.3. | 2021-01-07 . |
| 导入链接 | NoteExpress RIS BibTex |
摘要 ：
Engineering the local coordination environment in atomically dispersed catalyst has proven to be a prospective route to boost catalyst performance for hydrogen evolution reaction (HER). Herein, we present the utilization of local lattice distortion of TiO2 support to regulate the local coordination environment and electronic structures of atomically dispersed Pt catalysts, resulting in the enhanced performance toward HER. Spectral analysis uncovers an elongated Pt–O bond length, lower Pt–O coordination numbers, as well as less electron holes residing in Pt 5d orbitals for Pt species on distorted TiO2. Density functional theory (DFT) calculation reveal that the variation might weaken the hydrogen adsorption on Pt sites and cause the optimized ΔG value of H∗. As a result, the atomically dispersed Pt catalyst displays superior HER mass activity (62.34 A mg−1 Pt) and the highest turnover frequency (TOF) (56.1H2·s−1) at the 50 mV overpotential in an acid media that are 18.7 and 5.56 times higher than commercial Pt/C. The work should create a new avenue in manipulating the local coordination environment of catalysts via the lattice distortion of the support, and in pursuing desired catalytic performance. © 2021 Elsevier Ltd
关键词 ：
Bond length Bond length Catalyst supports Catalyst supports Coordination reactions Coordination reactions Density functional theory Density functional theory Electronic structure Electronic structure Gas adsorption Gas adsorption Hydrogen Hydrogen Hydrogen evolution reaction Hydrogen evolution reaction Oxide minerals Oxide minerals Platinum Platinum Spectrum analysis Spectrum analysis Titanium dioxide Titanium dioxide
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| GB/T 7714 | Cheng, Xing , Lu, Yue , Zheng, Lirong et al. Engineering local coordination environment of atomically dispersed platinum catalyst via lattice distortion of support for efficient hydrogen evolution reaction [J]. | Materials Today Energy , 2021 , 20 . |
| MLA | Cheng, Xing et al. "Engineering local coordination environment of atomically dispersed platinum catalyst via lattice distortion of support for efficient hydrogen evolution reaction" . | Materials Today Energy 20 (2021) . |
| APA | Cheng, Xing , Lu, Yue , Zheng, Lirong , Pupucevski, Max , Li, Hongyi , Chen, Ge et al. Engineering local coordination environment of atomically dispersed platinum catalyst via lattice distortion of support for efficient hydrogen evolution reaction . | Materials Today Energy , 2021 , 20 . |
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摘要 ：
Single-atom Fe-N-C electrocatalysts have emerged as the most promising oxygen reduction reaction (ORR) catalyst. However, the low Fe loading and inaccessibility of Fe-N-C sites limit the overall ORR activity. Here, we report an efficient single-atom electrocatalyst (Fe-N-C/N-OMC) with Fe-N-C sites embedded in three-dimensional (3D) N-doped ordered mesoporous carbon framework. Fe-N-C/N-OMC shows high half-wave potential, kinetic current density, turnover frequency and mass activity towards ORR in alkaline electrolyte. Experiments and theoretical calculations suggest that the ultra-high ORR activity stems from the boosted intrinsic activity of FeN4 sites by graphitic N dopants, high density of accessible active site generated by high Fe and N loadings and ordered mesoporous carbon structure as well as facilitated mass and electron transport in 3D interconnected pores. Fe-N-C/N-OMC also shows comparable ORR activity to PVC in acidic electrolyte. As the cathode for zinc-air battery, Fe-N-C/N-OMC exhibits high open-circuit voltage, high power density and remarkable durability.
关键词 ：
accessible active site accessible active site ordered mesoporous carbon ordered mesoporous carbon oxygen reduction reaction oxygen reduction reaction single-atom electrocatalyst single-atom electrocatalyst zinc-air battery zinc-air battery
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| GB/T 7714 | Han, Junxing , Bao, Hongliang , Wang, Jian-Qiang et al. 3D N-doped ordered mesoporous carbon supported single-atom Fe-N-C catalysts with superior performance for oxygen reduction reaction and zinc-air battery [J]. | APPLIED CATALYSIS B-ENVIRONMENTAL , 2021 , 280 . |
| MLA | Han, Junxing et al. "3D N-doped ordered mesoporous carbon supported single-atom Fe-N-C catalysts with superior performance for oxygen reduction reaction and zinc-air battery" . | APPLIED CATALYSIS B-ENVIRONMENTAL 280 (2021) . |
| APA | Han, Junxing , Bao, Hongliang , Wang, Jian-Qiang , Zheng, Lirong , Sun, Shaorui , Wang, Zhong Lin et al. 3D N-doped ordered mesoporous carbon supported single-atom Fe-N-C catalysts with superior performance for oxygen reduction reaction and zinc-air battery . | APPLIED CATALYSIS B-ENVIRONMENTAL , 2021 , 280 . |
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摘要 ：
The process of discovering and developing new materials currently requires considerable effort, time, and expense. Machine learning (ML) algorithms can potentially provide quick and accurate methods for screening new materials. In the present work, the features of the metal organic frameworks (MOFs) as a catalyst for fixing carbon dioxide into cyclic carbonate were extracted to build a data set, which were collected from the experimental results of approximately 100 published papers. Classifiers were trained with the data set with various ML algorithms, including support vector machine (SVM), K-nearest neighbor classification (KNN), decision trees (DT), stochastic gradient descent (SGD), and neural networks (NN), to predict the catalytic performance. The ML models were trained on 80% of the data set and then tested on the remaining 20% to predict the carbon dioxide fixation ability. The trained ML model was extended to explore 1311 hypothetical MOFs, and some structures displayed a strong catalytic ability. Finally, the six best metal ions (Mn, V, Cu, Ni, Zr and Y) and four best ligands (tactmb, tdcbpp, TCPP, H3L) were determined. These six metals and four ligands could be combined into 24 MOFs, which are strongly potential catalysts for carbon dioxide fixation. Using machine learning methods can speed up the screening of materials, and this methodology is promising for application not only to MOFs as catalysts but also in many other materials science projects. (C) 2021 The Chinese Ceramic Society. Production and hosting by Elsevier B.V.
关键词 ：
Catalysts Catalysts CO2 fixation CO2 fixation Cyclic carbonate Cyclic carbonate Machine learning Machine learning Metal-organic frameworks Metal-organic frameworks
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| GB/T 7714 | Li, Shuyuan , Zhang, Yunjiang , Hu, Yuxuan et al. Predicting metal-organic frameworks as catalysts to fix carbon dioxide to cyclic carbonate by machine learning [J]. | JOURNAL OF MATERIOMICS , 2021 , 7 (5) : 1029-1038 . |
| MLA | Li, Shuyuan et al. "Predicting metal-organic frameworks as catalysts to fix carbon dioxide to cyclic carbonate by machine learning" . | JOURNAL OF MATERIOMICS 7 . 5 (2021) : 1029-1038 . |
| APA | Li, Shuyuan , Zhang, Yunjiang , Hu, Yuxuan , Wang, Bijin , Sun, Shaorui , Yang, Xinwu et al. Predicting metal-organic frameworks as catalysts to fix carbon dioxide to cyclic carbonate by machine learning . | JOURNAL OF MATERIOMICS , 2021 , 7 (5) , 1029-1038 . |
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摘要 ：
The low intrinsic activity of Fe/N/C oxygen catalysts restricts their commercial application in the fuel cells technique; herein, we demonstrated the interface engineering of plasmonic induced Fe/N/C-F catalyst with primarily enhanced oxygen reduction performance for fuel cells applications. The strong interaction between F and Fe-N-4 active sites modifies the catalyst interfacial properties as revealed by X-ray absorption structure spectrum and density functional theory calculations, which changes the electronic structure of Fe-N active site resulting from more atoms around the active site participating in the reaction as well as super-hydrophobicity from C-F covalent bond. The hybrid contribution from active sites and carbon support is proposed to optimize the three-phase microenvironment efficiently in the catalysis electrode, thereby facilitating efficient oxygen reduction performance. High catalytic performance for oxygen reduction and fuel cells practical application catalyzed by Fe/N/C-F catalyst is thus verified, which offers a novel catalyst system for fuel cells technique.
关键词 ：
CF4 plasma treatment CF4 plasma treatment Fe/N/C catalyst Fe/N/C catalyst interface engineering interface engineering proton exchange membrane fuel cells proton exchange membrane fuel cells three-phase microenvironment three-phase microenvironment
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| GB/T 7714 | Yin, Xue , Feng, Ligang , Yang, Wen et al. Interface engineering of plasmonic induced Fe/N/C-F catalyst with enhanced oxygen catalysis performance for fuel cells application [J]. | NANO RESEARCH , 2021 . |
| MLA | Yin, Xue et al. "Interface engineering of plasmonic induced Fe/N/C-F catalyst with enhanced oxygen catalysis performance for fuel cells application" . | NANO RESEARCH (2021) . |
| APA | Yin, Xue , Feng, Ligang , Yang, Wen , Zhang, Yuanxi , Wu, Haiyan , Yang, Le et al. Interface engineering of plasmonic induced Fe/N/C-F catalyst with enhanced oxygen catalysis performance for fuel cells application . | NANO RESEARCH , 2021 . |
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摘要 ：
将微视频的创意及快速制作的特点与基础化学实验教学相结合,并以此为应用案例,探讨微视频技术在基础化学实验教学中的应用。微视频技术的应用有助于提升学习过程的趣味性、互动性,规范实验操作,进行探索性学习;同时促进学生之间的交流学习,深刻理解和掌握知识点,提升实验实践教学环节的投入产出效率。
关键词 ：
微视频技术 微视频技术 视频制作 视频制作 基础化学实验 基础化学实验
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| GB/T 7714 | 赵煜娟 , 李钒 , 孙少瑞 et al. 微视频技术在基础化学实验教学中的应用探索 [J]. | 教育教学论坛 , 2020 , (51) : 389-390 . |
| MLA | 赵煜娟 et al. "微视频技术在基础化学实验教学中的应用探索" . | 教育教学论坛 51 (2020) : 389-390 . |
| APA | 赵煜娟 , 李钒 , 孙少瑞 , 陈戈 . 微视频技术在基础化学实验教学中的应用探索 . | 教育教学论坛 , 2020 , (51) , 389-390 . |
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摘要 ：
The manipulation of central atom coordination environments can greatly boost catalytic performances and promote the understanding of associated mechanisms in both sub-nanometer clusters and atomically dispersed catalysts. In this study, sub-nanometer "raft"-like PtNx clusters were synthesized on a TiO2 support, and the significant enhancement effects of the Pt-N coordination structure on the performance of hydrogen evolution reaction (HER) are demonstrated. In acidic media, the PtNx catalyst display a superior HER activity (37.5 A mg(-1) Pt) and turnover frequencies (37.9H(2) s(-1)) at overpotential of 50 mV; outperforming commercial Pt/C by a factor of 13.3 and 3.9, respectively. Density functional theory (DFT) calculation results reveal that the charge transfer occur from the N to the neighboring Pt atoms when the hydrogen is adsorbed on N atoms; such a charge redistribution within Pt-N coordination structure leads to a smaller H* free energies on the activated N atoms, and is believed to account for the higher HER activity.
关键词 ：
Charge redistribution Charge redistribution Cluster Cluster Electrocatalyst Electrocatalyst Hydrogen evolution reaction Hydrogen evolution reaction Platinum Platinum
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| GB/T 7714 | Cheng, Xing , Lu, Yue , Zheng, Lirong et al. Charge redistribution within platinum-nitrogen coordination structure to boost hydrogen evolution [J]. | NANO ENERGY , 2020 , 73 . |
| MLA | Cheng, Xing et al. "Charge redistribution within platinum-nitrogen coordination structure to boost hydrogen evolution" . | NANO ENERGY 73 (2020) . |
| APA | Cheng, Xing , Lu, Yue , Zheng, Lirong , Cui, Yitao , Niibe, Masahito , Tokushima, Takashi et al. Charge redistribution within platinum-nitrogen coordination structure to boost hydrogen evolution . | NANO ENERGY , 2020 , 73 . |
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摘要 ：
Herein, we synthesized a Fe, Ni dual-metal embedded in porous nitrogen-doped carbon material to endow higher turnover frequency (TOF), lower H2O2 yield, and thus superior durability than for the single-atom catalyst for oxygen reduction in acid media. Quantitative X-ray absorption near edge structure (XANES) fitting and density functional theory (DFT) calculation were implemented to explore the active sites in the catalysts. The results suggest FeNi-N-6 with type I (each metal atom coordinated with four nitrogen atoms) instead of type II configuration (each metal atom coordinated with three nitrogen atoms) dominates the catalytic activity of the noble-metal free catalyst (NMFC). Further, theoretical calculation reveals that the oxygen reduction reaction (ORR) activity trend of different moieties was FeNi-N-6 (type I) > FeNi-N-6 (type II) > Fe-N-4 > Fe-2-N-6. Our research represents an important step for developing dual-metal doping NMFC for proton exchange membrane fuel cells (PEMFCs) by revealing its new structural configuration and correlation with catalytic activity.
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| GB/T 7714 | Zhou, Yaodan , Yang, Wen , Utetiwabo, Wellars et al. Revealing of Active Sites and Catalytic Mechanism in N-Coordinated Fe, Ni Dual-Doped Carbon with Superior Acidic Oxygen Reduction than Single-Atom Catalyst [J]. | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2020 , 11 (4) : 1404-1410 . |
| MLA | Zhou, Yaodan et al. "Revealing of Active Sites and Catalytic Mechanism in N-Coordinated Fe, Ni Dual-Doped Carbon with Superior Acidic Oxygen Reduction than Single-Atom Catalyst" . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 . 4 (2020) : 1404-1410 . |
| APA | Zhou, Yaodan , Yang, Wen , Utetiwabo, Wellars , Lian, Yi-meng , Yin, Xue , Zhou, Lei et al. Revealing of Active Sites and Catalytic Mechanism in N-Coordinated Fe, Ni Dual-Doped Carbon with Superior Acidic Oxygen Reduction than Single-Atom Catalyst . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2020 , 11 (4) , 1404-1410 . |
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摘要 ：
Polymeric carbon nitride (C3N4) with atomic thick layers has displayed ultrashort carrier transfer and ion/molecule migration path for enhancement of photocatalytic performance. However, rational modulation towards electron configurations of ultra-thin C3N4 nanosheets is still a challenge, because the existing exfoliation strategies suffer from uncontrollable atom-defects and edge functional groups, leading to poor solar-to-fuel conversion efficiency. Herein, a post-redox method is developed to form atomic thick C3N4 nanosheets with optimized electron configurations through liquid exfoliation and C-reduction. The as-prepared carbon-reduced atomic thick C3N4 (C-Red-AT-C3N4) expose more active sites, greatly enhance charge carrier mobility and distinctly reduce the optical band gap, thus leading to a remarkably improved photocatalytic hydrogen evolution rate of 246.2 mu mol h(-1) under visible light irradiation (lambda > 420 nm), which is 17-fold higher than that of the pristine counterpart. The apparent quantum efficiency reaches 18.52 % at 420 nm and surpasses most of existing C3N4-based photocatalysts.
关键词 ：
Atomic thick Atomic thick Carbon nitride Carbon nitride Electron configurations Electron configurations Photocatalytic hydrogen evolution Photocatalytic hydrogen evolution Post redox Post redox
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| GB/T 7714 | Li, Yongli , Xu, Xiangfeng , Wang, Jinshu et al. Post-redox engineering electron configurations of atomic thick C3N4 nanosheets for enhanced photocatalytic hydrogen evolution [J]. | APPLIED CATALYSIS B-ENVIRONMENTAL , 2020 , 270 . |
| MLA | Li, Yongli et al. "Post-redox engineering electron configurations of atomic thick C3N4 nanosheets for enhanced photocatalytic hydrogen evolution" . | APPLIED CATALYSIS B-ENVIRONMENTAL 270 (2020) . |
| APA | Li, Yongli , Xu, Xiangfeng , Wang, Jinshu , Luo, Wei , Zhang, Zhipeng , Cheng, Xing et al. Post-redox engineering electron configurations of atomic thick C3N4 nanosheets for enhanced photocatalytic hydrogen evolution . | APPLIED CATALYSIS B-ENVIRONMENTAL , 2020 , 270 . |
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摘要 ：
本文通过密度泛函方法计算6H-SiC(0001)表面对氧分子和水分子的吸附.在6H-SiC(0001)表面上吸附的O_2分子自发地解离成O~*,并被吸收在C与Si原子之间的空位上.吸附的H_2O自发地分解成OH~*和H~*,它们都被吸附在Si原子的顶部,OH~*进一步可逆地转化为O~*和H~*.H~*可以使Si悬键饱和并改变O~*的吸附类型,并进一步稳定6H-SiC(0001)表面并防止其转变为SiO_2.
关键词 ：
H_2O吸附 H_2O吸附 Si悬键 Si悬键 6H-SiC(0001)表面 6H-SiC(0001)表面 稳定性 稳定性 密度泛函理论 密度泛函理论
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| GB/T 7714 | 付纯鹤 , 卢辉丽 , 孙少瑞 . 密度泛函理论方法研究6H-SiC(0001)表面对氧分子和水分子的吸附（英文） [J]. | Chinese Journal of Chemical Physics , 2019 , 32 (04) : 451-456 . |
| MLA | 付纯鹤 et al. "密度泛函理论方法研究6H-SiC(0001)表面对氧分子和水分子的吸附（英文）" . | Chinese Journal of Chemical Physics 32 . 04 (2019) : 451-456 . |
| APA | 付纯鹤 , 卢辉丽 , 孙少瑞 . 密度泛函理论方法研究6H-SiC(0001)表面对氧分子和水分子的吸附（英文） . | Chinese Journal of Chemical Physics , 2019 , 32 (04) , 451-456 . |
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