First-principles investigation of the effects of Sb doping on the LiNiO2
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- 作者：Zhenhua Yanga ; b ; c ; yangzhenhua@xtu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Zhijuan Zhanga ; b ; Yanjun Pana ; b ; Shu Zhaoa ; b ; Yunqing Huangc ; huangyq@xtu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Xianyou Wangd ; Xiaoying Chend ; Shuangying Weid
- 关键词：First-principles ; Formation energies ; Sb doping ; Stability
- 刊名：Journal of Solid State Chemistry
- 出版年：2016
- 出版时间：December 2016
- 年：2016
- 卷：244
- 期：Complete
- 页码：52-60
- 全文大小：4476 K
文摘
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class="mathmlsrc">class="formulatext stixSupport mathImg" data-mathURL="/science?_ob=MathURL&_method=retrieve&_eid=1-s2.0-S0022459616303632&_mathId=si0009.gif&_user=111111111&_pii=S0022459616303632&_rdoc=1&_issn=00224596&md5=1f977933c451e1d4cedc0b36bd248da1" title="Click to view the MathML source">Sb2Ni10O24class="mathContainer hidden">class="mathCode"> has the lowest ratio of volume change and the highest average voltage.
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Li12Sb2Ni10O24 has better stability and conductivity than Li12Ni12O24.
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Electrostatic interaction between Li+ and Ni-O layers reduces in Li12Sb2Ni10O24.