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991.
Dr. Yangchun Lan Dr. Shuai Kang Dr. Dehu Cui Zhuofeng Hu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(12):4089-4097
Hematite nanoarrays are important photoanode materials. However, they suffer from serious problems of charge transfer and surface states; in particular, the surface states hinder the increase in photocurrent. A previous strategy to suppress the surface state is the deposition of an Fe-free metal oxide overlayer. Herein, from the viewpoint of atomic bonding energy, it is found that the strength of bonding around Fe atoms in the hematite is the key to suppressing the surface states. By treating the surface of hematite with Se and NaBH4, the Fe2O3 transforms to a double-layer nanostructure. In the outer layer, the Fe−O bonding is reinforced and the Fe−Se bonding is even stronger. Therefore, the surface states are inhibited and the increase in the photocurrent density becomes much faster. Besides, the treatment constructs a nanoscale p–n junction to promote the charge transfer. Improvements are achieved in onset potential (0.25 V shift) and in photocurrent density (5.8 times). This work pinpoints the key to suppressing the surface states and preparing a high-efficiency hematite nanoarray, and deepens our understanding of hematite photoanodes. 相似文献
992.
Timo Glaser Jannick Meinecke Lukas Freund Dr. Christian Länger Jan-Niclas Luy Prof. Dr. Ralf Tonner Prof. Dr. Ulrich Koert Prof. Dr. Michael Dürr 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(31):8082-8087
The additive-free tetrazine/enol ether click reaction was performed in ultra-high vacuum (UHV) with an enol ether group covalently linked to a silicon surface: Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate molecules were coupled to the enol ether group of a functionalized cyclooctyne which was adsorbed on the silicon (001) surface via the strained triple bond of cyclooctyne. The reaction was observed at a substrate temperature of 380 K by means of X-ray photoelectron spectroscopy (XPS). A moderate energy barrier was deduced for this click reaction in vacuum by means of density functional theory based calculations, in good agreement with the experimental results. This UHV-compatible click reaction thus opens a new, flexible route for synthesizing covalently bound organic architectures. 相似文献
993.
Zhaorui Li Dr. Kristin Werner Lu Chen Aiping Jia Dr. Kun Qian Dr. Jian-Qiang Zhong Dr. Rui You Dr. Lihui Wu Liyuan Zhang Dr. Haibin Pan Prof. Dr. Xin-Ping Wu Prof. Dr. Xue-Qing Gong Dr. Shamil Shaikhutdinov Prof. Weixin Huang Prof. Dr. Hans-Joachim Freund 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(16):5268-5276
The study reports the first attempt to address the interplay between surface and bulk in hydride formation in ceria (CeO2) by combining experiment, using surface sensitive and bulk sensitive spectroscopic techniques on the two sample systems, i.e., CeO2(111) thin films and CeO2 powders, and theoretical calculations of CeO2(111) surfaces with oxygen vacancies (Ov) at the surface and in the bulk. We show that, on a stoichiometric CeO2(111) surface, H2 dissociates and forms surface hydroxyls (OH). On the pre-reduced CeO2−x samples, both films and powders, hydroxyls and hydrides (Ce−H) are formed on the surface as well as in the bulk, accompanied by the Ce3+ ↔ Ce4+ redox reaction. As the Ov concentration increases, hydroxyl is destabilized and hydride becomes more stable. Surface hydroxyl is more stable than bulk hydroxyl, whereas bulk hydride is more stable than surface hydride. The surface hydride formation is the kinetically favorable process at relatively low temperatures, and the resulting surface hydride may diffuse into the bulk region and be stabilized therein. At higher temperatures, surface hydroxyls can react to produce water and create additional oxygen vacancies, increasing its concentration, which controls the H2/CeO2 interaction. The results demonstrate a large diversity of reaction pathways, which have to be taken into account for better understanding of reactivity of ceria-based catalysts in a hydrogen-rich atmosphere. 相似文献
994.
Jingyi Cai Haoshan Wei Prof. Yong Zhang Rui Cai Dr. Xueru Zhang Prof. Yan Wang Prof. Jiaqin Liu Prof. Hark Hoe Tan Prof. Ting Xie Prof. Yucheng Wu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(25):7300-7306
Efficient separation of photogenerated electron–hole pairs is a crucial factor for high-performance photocatalysts. Effective electron–hole separation and migration could be achieved by heterojunctions with suitable band structures. Herein, a porous SrTiO3/SrSO4 heterojunction is prepared by a sol-gel method at room temperature followed by an annealing process. XRD characterization suggests high crystallinity of the heterostructure. A well-defined interface between the two phases is confirmed by high-resolution (HR)TEM. The photocatalytic H2 evolution productivity of the SrTiO3/SrSO4 heterojunction with Pt as co-catalyst reaches 396.82 μmol g−1 h−1, which is 16 times higher than that of SrTiO3/Pt. The boosted photocatalytic activity of SrTiO3/SrSO4/Pt can be ascribed to the presence of SrSO4, which promotes the transfer and migration of photogenerated carriers by forming the heterojunction and porous structure, which provides a large amount of active sites. This novel porous heterostructure brings new ideas for the development of high-efficiency photocatalysts for H2 release. 相似文献
995.
996.
997.
《印度化学会志》2021,98(9):100114
We demonstrate how a back-propagation artificial neural network can be trained to represent a potential energy surface (PES) in a formless manner with limited data points and exploited to predict interaction energies for configurations not included in the training set. A similar exercise is undertaken for predicting the eigenvalues and eigenvectors of a model Hamiltonian matrix that delicately depends on parameters and exhibits crossing of eigen values. 相似文献
998.
《印度化学会志》2021,98(10):100171
The higher wear resistance of Ni based nano composite coatings makes them potential replacement in protecting the substrate materials. The role of surface roughness of the coating along with wear parameters on the specific wear rate, pin temperature, and COF are addressed in the present study. The use of hard nano Al2O3 particles found significant role in increasing the resistance to wear for Ni matrix coatings on Al6061 material. The resistance to dislocation offered by these nano Al2O3 particles and smear out of debris with plastic deformation indicated abrasive and adhesive nature of wear mechanism in combination. The optimization of wear parameters are carried out by surface response method based grey relation analysis. The normal load applied onto the pin has significant influence on the specific wear rate and temperature rise in the pin. The surface roughness of the coating has also found instrumental in the higher pin temperature and friction coefficient. 相似文献
999.
《Mendeleev Communications》2021,31(6):899-901
The production of polymer nanoparticles with a narrow size distribution on standard T- and X-configuration microfluidic chips with a channel size of 100 μm has been achieved. Introducing ethanol into the aqueous phase in 1:9 ratio (v/v) allowed one to reduce the surface tension of the contacting phases and obtain nanoparticles in the range of 100–150 nm. This makes our approach promising for development of nanoscale drug delivery systems. 相似文献
1000.
通过高温煅烧和油浴的方法构筑二维/三维(2D/3D) ZnIn2S4/TiO2异质结, 应用于光催化降解罗丹明B (RhB)和四环素(TC), 来研究异质结的构筑对TiO2可见光响应范围和光生载流子对分离效率的影响. 结果表明, TiO2维持了MOFs的形貌, 显示窄的可见光响应范围和高的光生电荷复合率, 与ZnIn2S4纳米片复合后, TiO2的比表面积增大, 光催化活性位点增多. 带隙宽度也由TiO2的3.23 eV减小到ZnIn2S4/TiO2-II的2.52 eV, 从而获得了更宽的可见光响应范围. 能带结构表明ZnIn2S4/TiO2是type II型异质结, 提高了光生载流子对的分离与转移效率. 在可见光照射下, ZnIn2S4/TiO2-II显示了最高的RhB光催化降解效率(93%), 分别是TiO2和ZnIn2S4的18和2倍. 同时, ZnIn2S4/TiO2-II也显示出比TiO2和ZnIn2S4更高的TC降解效率(90%). 循环实验表明ZnIn2S4/TiO2-II能保持良好的稳定性, 经5次循环实验后仍能降解83%的RhB. 研究表明基于MOFs衍生的TiO2构筑2D/3D ZnIn2S4/TiO2异质结是提高TiO2光催化性能的一条有效途径. 相似文献