Search Results - "Yan, Xunwang"

Designing Organic Spin-Gapless Semiconductors via Molecular Adsorption on C4N3 Monolayer by Zhao, Dongqiu, Tang, Xiao, Xing, Wanyan, Zhang, Yixin, Gao, Xueying, Zhang, Mengrui, Xie, Zhengao, Yan, Xunwang, Ju, Lin

“…Spin-gapless semiconductor (SGS), a class of zero-gap materials with fully spin-polarized electrons and holes, offers significant potential for high-speed,…”
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3d transition metal embedded C2N monolayers as promising single-atom catalysts: A first-principles study by Ma, D.W., Wang, Qinggao, Yan, Xunwang, Zhang, Xiwei, He, Chaozheng, Zhou, Dawei, Tang, Yanan, Lu, Zhansheng, Yang, Zongxian

“…Using first-principles calculation, the potential of the very recently synthesized graphene-like C2N monolayers as the single-atom catalyst (SAC) substrates…”
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The effect of oxygen vacancy on magnetism of geometrically frustrated triangular lattice CuFeO2: Ab initio study by Shi, Liran, Yan, Xunwang, Ju, Lin, Tian, Junlong, Xia, Zhengcai

“…[Display omitted] •The oxygen vacancy can lead to change in valence of Fe and Cu ion.•The stability of AFM structure enhance when the oxygen vacancy…”
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First-principles prediction on geometrical and electronic properties of K-doped chrysene by Wang, Xiaohui, Zhong, Guohua, Yan, Xunwang, Chen, Xiaojia, Lin, Haiqing

“…The significant discovery of superconductivity in potassium (K) doped polycyclic aromatic hydrocarbons (PAHs) provides a novel system to understand the…”
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Structural and electronic properties of potassium-doped 1,2;8,9-dibenzopentacene superconductor: comparing with doped [7]phenacenes by Zhong, Guo-Hua, Zhang, Chao, Yan, Xunwang, Li, Xiaoguang, Du, Zheng, Jing, Gexin, Ma, Cencen

“…Polycyclic aromatic hydrocarbons doped by metal have exhibited the potential of high temperature superconductivity. Understanding the basic properties of…”
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Designing Organic Spin-Gapless Semiconductors via Molecular Adsorption on C 4 N 3 Monolayer by Zhao, Dongqiu, Tang, Xiao, Xing, Wanyan, Zhang, Yixin, Gao, Xueying, Zhang, Mengrui, Xie, Zhengao, Yan, Xunwang, Ju, Lin

“…Spin-gapless semiconductor (SGS), a class of zero-gap materials with fully spin-polarized electrons and holes, offers significant potential for high-speed,…”
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Ultra-high-density double-atom catalyst with spin moment as activity descriptor for oxygen reduction reaction by Lv, Peng, Lv, Wenjing, Wu, Donghai, Tang, Gang, Yan, Xunwang, Lu, Zhansheng, Ma, Dongwei

“…One of the great challenges facing atomically dispersed catalysts, including single-atom catalyst (SAC) and double-atom catalyst (DAC) is their ultra-low metal…”
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Electronic structure and optical properties of Graphene Monoxide by Yang, Gui, Zhang, Yufeng, Yan, Xunwang

“…The electronic and optical properties of graphene monoxide, a new type of semiconductor materials, are first theoretically studied based on density functional…”
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Geometrical and electronic structures of tripotassium-doped hydrocarbon superconductors: Density functional calculations by Zhong, Guohua, Huang, Zhongbing, Zhang, Chao, Yan, Xunwang, Chen, Xiaojia, Lin, Haiqing

“…A systemically theoretical study has been presented to explored the crystal structures and electronic characteristics of polycyclic aromatic hydrocarbons…”
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