首页|Facile intercalation of alkali ions in WO3 for modulated electronic and optical properties:Implications for artificial synapses and chromogenic application

Facile intercalation of alkali ions in WO3 for modulated electronic and optical properties:Implications for artificial synapses and chromogenic application

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Tungsten oxides(WO3)are widely recognized as multifunctional systems owing to the existence of rich polymorphs.These diverse phases exhibit distinct octahedra-tilting patterns,generating substantial tunnels that are ideally suited for iontronics.However,a quantitative comprehension regarding the impact of distinct phases on the kinetics of intercalated conducting ions remains lacking.Herein,we employ first-principles calculations to explore the spatial and orientational correlations of ion transport in γ-and h-WO3,shedding light on the relationship between diffusion barriers and the size of the conducting ions.Our findings reveal that different types and concentrations of alkali-metals induce distinct and continuous lattice distortions in WO3 polymorphs.Specifically,γ-WO3 is more appropriate to accommodate Li+ions,exhibiting a diffusion barrier and coeficient of 0.25 eV and 9.31 × 10-8 cm2 s-1,respectively.Conversely,h-WO3 features unidirectional and sizeable tunnels that facilitate the transport of K+ions with an even lower barrier and a high coeffiicient of 0.11 eV and 2.12×10-5 cm2 s-1,respectively.Fur-thermore,the introduction of alkali-metal into WO3 tunnels tends to introduce n-type conductivity by contributing s-electrons to the unoccupied W 5d states,resulting in enhanced conductivity and tunable electronic structures.These alkali metals in WO3 tunnels are prone to charge transfer,forming small polaronic states and modulating the light absorption in the visible and near-infrared regions.These tunable electronic and optical properties,combined with the high diffusion coefficient,underscore the potential of WO3 in applications such as artificial synapses and chromogenic devices.

WO3 polymorphsion insertionkinetic activitytunable electronic and optical propertiesiontronics

Changmeng Huan、Zihan Lu、Silin Tang、Yongqing Cai、Qingqing Ke

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School of Microelectronics Science and Technology Sun Yat-sen University,Zhuhai 519082,China

Guangdong Provincial Key Laboratory of Optoelectronic Information Processing Chips and Systems,Sun Yat-sen University Zhuhai 519082,China

Institute of Applied Physics and Materials Engineering,University of Macau,Taipa,Macau 999078,China

Guangdong Basic and Applied Basic Research FoundationGuangdong Province International Science and Technology Cooperation Research ProjectNational Natural Science Foundation of ChinaScience and Technology Development Fundfrom Macau SARScience and Technology Development Fundfrom Macau SARScience and Technology Development Fundfrom Macau SARNatural Science Foundation of Guangdong Province,ChinaUniversity of Macau

2021B15151200252023A0505050101220223090120/2023/RIA20085/2023/ITP2FDCT-0163/2019/A 32021Al515010024MYRG2020-00075-IAPME

2024

10.1007/s11433-023-2224-8

中国科学:物理学 力学 天文学(英文版)
中国科学院

中国科学:物理学 力学 天文学(英文版)

CSTPCD
影响因子：0.91
ISSN：1674-7348
年,卷(期)：2024.67(2)
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