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硫空位改性HfS_(2)单层吸附有毒气体分子的研究
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作者 陈国祥 龙圆圆 +1 位作者 杜瑞芸 刘迎港 《功能材料》 CAS CSCD 北大核心 2023年第10期10111-10116,共6页
采用基于密度泛函理论的第一性原理计算方法,研究了本征HfS_(2)单层和S空位改性后的HfS_(2)单层(S_(V)-HfS_(2))吸附有毒有害气体CH_(4)、CO、H_(2)S、SO_(2)的最稳定构型、吸附能、电子结构以及气敏性能。结果表明,S空位改性使HfS_(2)... 采用基于密度泛函理论的第一性原理计算方法,研究了本征HfS_(2)单层和S空位改性后的HfS_(2)单层(S_(V)-HfS_(2))吸附有毒有害气体CH_(4)、CO、H_(2)S、SO_(2)的最稳定构型、吸附能、电子结构以及气敏性能。结果表明,S空位改性使HfS_(2)性质由间接带隙半导体变为了金属性质,而且S_(V)-HfS_(2)单层对气体更加的敏感。为了进一步探究其作为高性能气敏材料的可能性,对S_(V)-HfS_(2)单层吸附CH_(4)、CO、H_(2)S、SO_(2)气体的吸附体系最稳定构型、能带结构、态密度、差分电荷密度以及电子局域函数进行了分析。研究表明,S空位改性HfS_(2)单层是一种稳定且有效的改性手段,有助于改善基底对CH_(4)、CO、H_(2)S、SO_(2)气体分子的吸附能力;SO_(2)吸附在S_(V)-HfS_(2)上的吸附能(3.245 eV)和电荷转移(1.149 e)最为显著,S_(V)-HfS_(2)基底对SO_(2)最敏感,有作为SO_(2)气体高效检测材料的潜力。研究结果将有助于HfS_(2)材料的气体传感器在有毒有害气体检测和治理方面的应用。 展开更多
关键词 hfs_(2)单层 S空位改性 气敏特性 第一性原理计算
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Thermally modulated photoelectronic synaptic behavior in HfS_(2)/VO_(2) heterostructure
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作者 Le Wang Lin Wang +6 位作者 Xiao-Yun Ye Xiong-Hu Xu Li-Yan Shang Ya-Wei Li Jin-Zhong Zhang Liang-Qing Zhu Zhi-Gao Hu 《Rare Metals》 SCIE EI CAS CSCD 2024年第8期3798-3809,共12页
Neuromorphic computing is known for its efficient computational speed,low latency,and reduced power consumption,which is considered a pivotal technology to overcome the von Neumann bottleneck.Artificial synapses are a... Neuromorphic computing is known for its efficient computational speed,low latency,and reduced power consumption,which is considered a pivotal technology to overcome the von Neumann bottleneck.Artificial synapses are an indispensable component of neuromorphic computational artificial neural networks.To guarantee effective and precise processing of optical signals,it must have a high responsivity,detectivity,and the ability to adapt to various environments.Here,a synaptic transistor based on the HfS_(2)/VO_(2) heterojunction with a responsivity of8.6×10^(3) A·W^(-1)and a detectivity of 1.26×10^(14)Jones at405 nm laser was reported.Meanwhile,the typical synaptic behavior was successfully simulated,including postsynaptic currents(PSCs),the transition from shortterm plasticity(STP)to long-term plasticity(LTP).When VO_(2) converts from the semiconductor state to the metal state,the HfS_(2)/VO_(2) heterojunction transforms into a Schottky heterojunction from a TypeⅡheterojunction with temperature.What's important,the heterojunction still exhibits excellent responsivity and detectivity,as well as stability of synaptic properties.In addition,the classical Pavlovian conditioning experiment is simulated under different laser intensity to study the brain's associative learning behavior.The results demonstrate that the HfS_(2)/VO_(2) heterojunction synapse exhibits significant responsivity and detectivity and is adaptable to high-temperature environments,showing great potential for neuromorphic computational applic ations. 展开更多
关键词 hfs_(2) VO_(2) Phase transition Photoelectric synapse HETEROJUNCTION
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