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Formation Enthalpy Calculation of oxygen vacancy defect in Doped Lithium Niobate Crystals

Chemical Research in Chinese Universities 2004年第1期20卷 65-67页

作者： QIANGLiang-sheng LIYao TANGDong-yan XUChong-quan WEIYong-de DepartmentofAppliedChemistry HarbinInstituteofTechnologyHarbin150001P.R.China CenterforCompositeMaterials HarbinInstituteofTechnologyHarbin150001P.R.China

The relationship between temperature and oxygen vacancy concentration is deduced in this paper. Based on the data of thermal weight-loss experiment, the formation enthalpies of congruent and several doped LN crystals have been calculated. It was found that the formation enthalpy of oxygen vacancies can be decreased evidently by doping valence-changeable ions. The experimental results were discussed and a new reduction process of the photorefractive LN crystal at a relatively low temperature was proposed, and the reduced crystals showed a good effect in practical use.

关键词： Formation enthalpy calculation oxygen vacancy defect Doped lithium niobate crystal

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Regulating oxygen vacancy defects in Heterogeneous NiO-CeO_(2)−δ Hollow Multi-shelled Structure for Boosting oxygen Evolution Reaction

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Chemical Research in Chinese Universities 2024年第3期40卷 475-483页

作者： WANG Huan GONG Guannan SUN Guohua QI Jian YU Ranbo WANG Dan Hebei Key Laboratory of Flexible Functionals Materials School of Materials Science and EngineeringHebei University of Science and TechnologyShijiazhuang 050000P.R.China Department of Physical Chemistry School of Metallurgical and Ecological EngineeringUniversity of Science&Technology BejingBeijing 100083P.R.China State Key Laboratory of Biochemical Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190P.R.China

CeO_(2) with excellent oxygen storage-exchange capacity and NiO with excellent surface activity were used to construct a heterogeneous NiO-CeO_(2)−δhollow multi-shelled structure(HoMS)by spray *** turned out that as the proportion of CeO_(2) increases,the overpotential and Tafel slope of NiO-CeO_(2)−δHoMSs first decreased and then *** is mainly because the construction of the NiO-CeO_(2)−δHoMSs not only increases the specific surface area,but also introduces oxygen vacancy defects,thus improving the interface charge transfer capability of the materials and further improving the oxygen evolution reaction(OER)***,the increase of the calcination temperature will induce the decay of the OER performance of NiO-CeO_(2)−δHoMSs,which is mainly due to the decrease of the specific surface area,the reduction of oxygen vacancy defects,and the weakening of interface charge transfer ***,a series of heterogeneous composite HoMSs,such as Ni/Co,Mo/Ni,Al/Ni and Fe/Ni oxides was successfully constructed by spray drying,which enriched the diversity of HoMSs.

关键词： Heterogeneous composite structure Hollow multishelled structure oxygen vacancy defect oxygen evolution reaction

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Study on mechanism of low-temperature oxidation of n-hexanal catalysed by 2D ultrathin Co_(3)O_(4) nanosheets

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Nano Research 2022年第2期15卷 1660-1671页

作者： Leilei Miao Xiaolong Tang Shunzheng Zhao Xizhou Xie Chengcheng Du Tian Tang Honghong Yi Department of Environmental Enginnering School of Energy and Environmental EngineeringUniversity of Science and TechnologyBeijingBeijing 100083China Beijing Key Laboratory of Resource-oriented Treatment of Industrial Pollutants Beijing 100083China

Achieving high catalytic performance with lower possible cost and higher energetic efficiency is critical for catalytic oxidation of volatile organic compounds(VOCs).However,traditional thermocatalysts generally undergo low catalytic activity and fewer active ***,this paper synthesizes nearly all-surface-atomic,ultrathin two-dimensional(2D)Co_(3)O_(4) nanosheets to address these problems through offering a numerous active sites and high electron *** 2D Co_(3)O_(4) nanosheets(1.70 nm)exhibit catalyzation to the total oxidation of n-hexanal at the lower temperature of r90%=202℃,and at the space velocity of 5.0×10^(4) h^(-1).It is over 1.2 and 6 times higher catalytic activity than that of 2D CoO nanosheets(1.71 nm)and bulk Co_(3)O_(4) counterpart,*** absorption spectroscopy analysis shows that the oxygen vacancy defect traps electrons,thereby preventing the recombination with holes,increasing the lifetime of electrons,and making electron-holes reach a nondynamic *** longer the electron lifetime is,the easier the oxygen vacancy defects capture ***,the defects combine with oxygen to form active oxygen *** with the lattice oxygen involved in the reaction of bulk Co_(3)O_(4),the nanosheets change the catalytic reaction path,which effectively reduces the activation energy barrier from 34.07 to 27.15 kJ/*** changed surface disorder,the numerous coordinatively-unsaturated Co atoms and the high ratio of O_(ads)/O_(lat) on the surface of 2D Co_(3)O_(4) nanosheets are responsible for the catalytic performance.

关键词： catalytic reaction n-hexanal oxidation two-dimensional nanosheets oxygen vacancy defect coordinated unsaturated atom

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