ALUMINOPHOSPHATE

作品数：20被引量：22H指数：2
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相关作者：郭亚楠徐如人于吉红更多>>
相关机构：吉林大学更多>>
相关期刊：《Journal of Wuhan University of Technology(Materials Science)》《Science China Chemistry》《National Science Review》《Chemical Research in Chinese Universities》更多>>
相关基金：国家自然科学基金高等学校学科创新引智计划国家重点基础研究发展计划国家教育部博士点基金更多>>
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Unraveling templated-regulated distribution of isolated SiO_(4) tetrahedra in silicoaluminophosphate zeolites with high-throughput computations
《National Science Review》2022年第9期14-22,共9页Yan Li Chao Shi Lin Li Guoju Yang Junyan Li Jun Xu Qinfen Gu Xingxing Wang Ji Han Tianjun Zhang Yi Li Jihong Yu 
supported by the National Key Research and Development Program of China(2021YFA1501202);the National Natural Science Foundation of China(21920102005,21835002,22175073 and 21621001);the Overseas Expertise Introduction Project for Discipline Innovation(111 Project,B17020)。
Silicoaluminophosphate(SAPO)zeolites are well-known catalytic materials because of the mild acidity originating from the isolated SiO_(4) tetrahedra in their frameworks.Regulating the distribution of isolated SiO_(4) ...
关键词：ACIDITY computational chemistry heterogeneous catalysis structure-activity relationships zeolites 
Uncovering the Phase Transition of Berlinite (α-AlPO_(4)) under High Pressure:Insights from First-principles Calculations
《Journal of Wuhan University of Technology(Materials Science)》2021年第2期248-254,共7页LI Neng HU Hai GUO Fei TAO Haizheng 
Funded by the Foundation of the State Key Laboratory of Optical Fiber and Cable Manufacture Technology(No.SKLD1602);the Fok Ying-Tong Education Foundation for Young Teachers in the Higher Education Institutions of China(No.161008);the Foundation of the State Key Laboratory of Refractors and Metallurgy(G201605);the Natural Science Fund for Distinguished Young Scholars of Hubei Province(No.2020CFA087);the Basic Research Program of Shenzhen(No.JCYJ20190809120015163);the Overseas Expertise Introduction Project(111 Project)for Discipline Innovation of China(No.B18038);the Research Board of the State Key Laboratory of Silicate Materials for Architectures。
We investigated the mechanism of crystalline-to-amorphous phase transition(CAPT)for amorphous berlinite(a-AlPO_(4))under high pressure using ab initio constant-pressure techniques.Our results show that the pressure to...
关键词：ALUMINOPHOSPHATE atomic and electronic structures phase transition ab initio calculation 
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