Thermally induced in situ fabrication of TiO_(2)/CN heterojunction dopant for enhancement of hydrogen storage properties of LiAlH_(4)  

作　　者：Guorong Zhang Jiaxi Liu Sheng Wei Fen Xu Lixian Sun Yongpeng Xia Hehui Wang Jinfan Wu Yuan Gao Qiwei Shao a Yiting Bu Yanxun Guana Lumin Liao Taigen Liang Lina Qin 

机构地区：[1]Guangxi Key Laboratory of Information Materials&Guangxi Collaborative Innovation Center for Structure and Properties for New Energy and Materials,School of Material Science and Engineering,Guilin University of Electronic Technology,Guilin 541004,China [2]Institute of Technology for Carbon Neutrality,Shenzhen Institute of Advanced Technology,Chinese Academy of Sciences,Shenzhen 518055,China

出　　处：《Journal of Materials Science & Technology》2024年第36期227-236,共10页材料科学技术(英文版)

基　　金：supported by National Natural Sci-ence Foundation of China(Nos.52271205,52371218,U20A20237 and 52101245);the Guangxi Key Research and Development Pro-gram(No.2021AB17045);the Science Research and Technology De-velopment project of Guilin(No.20210102-4);the Guangxi Key Laboratory of Sustainable Utilization of Plant Functional Substances(FPRU2022-4);Guangxi Key Laboratory of Information Laboratory Foundation(231006-Z);the Guangxi Bagui Scholar Foundation,the Guilin Lijiang Scholar Foundation,Guangxi Collaborative Innovation Centre of Structure and the Property for New Energy and Materi-als,Chinesisch-Deutsche Kooperationsgruppe(No.GZ1528).

摘　　要：Herein,a novel TiO_(2)/CN heterojunction material has been prepared by one-step bubble template-assisted calcination to enhance the hydrogen storage capability of LiAlH_(4).The TEM,XPS and UPS analysis confirm that a heterostructure is formed between TiO_(2)and g-C3 N4 successfully.The experimental findings indi-cate that the TiO_(2)/CN significantly enhances the dehydrogenation performance of LiAlH_(4).For instance,the LiAlH_(4)-7 wt%TiO_(2)/CN starts to dehydrogenize at 76℃(94℃ less than pure LiAlH_(4))and releases 6.5 wt%H2 at 200℃.Meanwhile,LiAlH_(4)-7 wt%TiO_(2)/CN releases 4.9 wt%H2 at 120℃ within 50 min.The mech-anism analysis illustrates that AlTi3 N is formed in situ during ball-milling.And density functional theory(DFT)calculation results reveal that the AlTi3 N can weaken the Al-H bonds in LiAlH_(4)through interfacial charge transfer.Furthermore,the TiO_(2)/CN heterostructure creates an internal electric field that generates an electron-rich layer.As a result,the negative electron layer at one end of the TiO_(2)/CN heterojunction has an increased affinity for H,which enhances the dehydrogenation reaction of LiAlH_(4).Clearly,both the TiO_(2)/CN heterostructure and AlTi3 N contribute to the improvement of the dehydrogenation properties of LiAlH_(4).

关 键 词：Hydrogen storage material LiAlH4 TIO2 Carbon nitride HETEROJUNCTION 

分 类 号：TG1[金属学及工艺—金属学]