Microscopic Dynamics of Li+ in Rutile TiO2 Revealed by Li-8 beta-Detected Nuclear Magnetic Resonance

doi:10.1021/acs.chemmater.7b04093

KMS > 物质科学与技术学院 > PI研究组 > Dimitrios Koumoulis组

	Microscopic Dynamics of Li+ in Rutile TiO2 Revealed by Li-8 beta-Detected Nuclear Magnetic Resonance
	McFadden, Ryan M. L.1,2; Buck, Terry J.3; Chatzichristos, Aris 2,3; Chen, Chia-Chin 4; Chow, Kim H.5; Cortie, David L.1,2,3,11; Dehn, Martin H.2,3; Karner, Victoria L.1,2; Koumoulis, Dimitrios6,8,12 ; Levy, C. D. Philip 7; Li, Chilin 8; McKenzie, Iain 7,9; Merkle, Rotraut 4; Morris, Gerald D.7; Pearson, Matthew R.7; Salman, Zaher 10; Samuelis, Dominik 4,9,13; Stachura, Monika 7; Xiao, Jiyu 1; Maier, Joachim 4; Kiefl, Robert F.2,3,7; MacFarlane, W. Andrew 1,2,7
	2017-12-12
发表期刊	CHEMISTRY OF MATERIALS
ISSN	0897-4756
卷号	29 期号:23 页码:10187-10197
发表状态	已发表
DOI	10.1021/acs.chemmater.7b04093
摘要	We report measurements of the dynamics of isolated Li-8(+) in single crystal rutile TiO2 using beta-detected nuclear magnetic resonance. From spin-lattice relaxation and motional narrowing, we find two sets of thermally activated dynamics: one below 100 K and one at higher temperatures. At low temperature, the activation barrier is 26.8(6) meV with prefactor 1.23(5) x 10(10) s(-1). We suggest this is unrelated to Li+ motion and rather is a consequence of electron polarons in the vicinity of the implanted Li-8(+) that are known to become mobile in this temperature range. Above 100 K, Li+ undergoes long-range diffusion as an isolated uncomplexed cation, characterized by an activation energy and prefactor of 0.32(2) eV and 1.0(5) x 10(16) s(-1), respectively, in agreement with macroscopic diffusion measurements. These results in the dilute limit from a microscopic probe indicate that Li+ concentration does not limit the diffusivity even up to high concentrations but that some key ingredient is missing in the calculations of the migration barrier. The anomalous prefactors provide further insight into both Li+ and polaron motion.
收录类别	SCI ; EI
语种	英语
WOS研究方向	Chemistry ; Materials Science
WOS类目	Chemistry, Physical ; Materials Science, Multidisciplinary
WOS记录号	WOS:000418206600039
出版者	AMER CHEMICAL SOC
EI入藏号	20175104557957
EI主题词	Activation energy ; Chemical activation ; Diffusion barriers ; Dynamics ; Lithium ; Nuclear magnetic resonance ; Oxide minerals ; Polarons ; Single crystals ; Spin dynamics ; Temperature ; Titanium compounds ; Titanium dioxide
EI分类号	Minerals:482.2 ; Lithium and Alloys:542.4 ; Thermodynamics:641.1 ; Chemical Products Generally:804 ; Inorganic Compounds:804.2 ; Atomic and Molecular Physics:931.3 ; Crystalline Solids:933.1 ; Crystal Lattice:933.1.1
WOS关键词	SPIN-LATTICE-RELAXATION ; ION DYNAMICS ; LITHIUM INTERCALATION ; TITANIUM-DIOXIDE ; DIFFUSION ; NMR ; SOLIDS ; ENTROPY ; CONDUCTORS ; ELECTRONS
原始文献类型	Article
引用统计
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/14268
专题	物质科学与技术学院_PI研究组_Dimitrios Koumoulis组
通讯作者	McFadden, Ryan M. L.; MacFarlane, W. Andrew
作者单位	1.Univ British Columbia, Dept Chem, 2036 Main Mall, Vancouver, BC V6T 1Z1, Canada 2.Univ British Columbia, Stewart Blusson Quantum Matter Inst, 2355 East Mall, Vancouver, BC V6T 1Z4, Canada 3.Univ British Columbia, Dept Phys & Astron, 6224 Agr Rd, Vancouver, BC V6T 1Z1, Canada 4.Max Planck Inst Festkorperforsch, Heisenbergstr 1, D-70569 Stuttgart, Germany 5.Univ Alberta, Dept Phys, 4-181 CCIS, Edmonton, AB T6G 2E1, Canada 6.Univ Calif Los Angeles, Dept Chem & Biochem, 607 Charles E Young Dr East, Los Angeles, CA 90095 USA 7.TRIUMF, 4004 Wesbrook Mall, Vancouver, BC V6T 2A3, Canada 8.Chinese Acad Sci, Shanghai Inst Ceram, 1295 Dingxi Rd, Shanghai 200050, Peoples R China 9.Simon Fraser Univ, Dept Chem, 8888 Univ Dr, Burnaby, BC V5A 1S6, Canada 10.Paul Scherrer Inst, Lab Muon Spin Spect, CH-5232 Villigen, Switzerland 11.Australian Natl Univ, Res Sch Chem, Canberra, ACT 2601, Australia 12.ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China 13.Heraeus Deutsch GmbH & Co KG, Heraeusstr 12-14, D-63450 Hanau, Germany
推荐引用方式 GB/T 7714	McFadden, Ryan M. L.,Buck, Terry J.,Chatzichristos, Aris,et al. Microscopic Dynamics of Li+ in Rutile TiO2 Revealed by Li-8 beta-Detected Nuclear Magnetic Resonance[J]. CHEMISTRY OF MATERIALS,2017,29(23):10187-10197.
APA	McFadden, Ryan M. L..,Buck, Terry J..,Chatzichristos, Aris.,Chen, Chia-Chin.,Chow, Kim H..,...&MacFarlane, W. Andrew.(2017).Microscopic Dynamics of Li+ in Rutile TiO2 Revealed by Li-8 beta-Detected Nuclear Magnetic Resonance.CHEMISTRY OF MATERIALS,29(23),10187-10197.
MLA	McFadden, Ryan M. L.,et al."Microscopic Dynamics of Li+ in Rutile TiO2 Revealed by Li-8 beta-Detected Nuclear Magnetic Resonance".CHEMISTRY OF MATERIALS 29.23(2017):10187-10197.