Search Results - "Luo, Youhua"

Magnetic Superatoms in VLin (n = 1-13) Clusters: A First-Principles Prediction by MENG ZHANG, JIANFEI ZHANG, XIAOJUAN FENG, HONGYU ZHANG, LIXIA ZHAO, YOUHUA LUO, WEI CAO

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Higher-order topological insulators in two-dimensional Dirac materials by Xue, Yang, Huan, Hao, Zhao, Bao, Luo, Youhua, Zhang, Zhenyu, Yang, Zhongqin

“…As a novel topological state, a higher-order topological insulator has attracted enormous interest, which in d spatial dimensions has gapless boundary states…”
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Transition Metal Adsorbed-Doped ZnO Monolayer: 2D Dilute Magnetic Semiconductor, Magnetic Mechanism, and Beyond 2D by Zhang, Meng, Shi, Xinying, Wang, Xiao, Li, Taohai, Huttula, Marko, Luo, Youhua, Cao, Wei

“…As an improvement over organic or inorganic layered crystals, the synthetic monolayer ZnO­(M) inherits semiconductivity and hostability from its bulk, yet it…”
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Introducing Magnetism into 2D Nonmagnetic Inorganic Layered Crystals: A Brief Review from First-Principles Aspects by Shi, Xinying, Huang, Zhongjia, Huttula, Marko, Li, Taohai, Li, Suya, Wang, Xiao, Luo, Youhua, Zhang, Meng, Cao, Wei

“…Pioneering explorations of the two-dimensional (2D) inorganic layered crystals (ILCs) in electronics have boosted low-dimensional materials research beyond the…”
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Chitosan-modified d-α-tocopheryl poly(ethylene glycol) 1000 succinate-b-poly(ε-caprolactone-ran-glycolide) nanoparticles for the oral chemotherapy of bladder cancer by Liu, Baichuan, Wang, Han, Fan, Lixin, Qiu, Xiaofu, Luo, Youhua, Zhou, Shenyang, Yang, Guosheng

“…ABSTRACT Oral chemotherapy is quickly emerging as an appealing option for cancer patients. It is less stressful because the patient has fewer hospital visits…”
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Tunable Hydrogen Separation in sp–sp2 Hybridized Carbon Membranes: A First-Principles Prediction by Zhang, Hongyu, He, Xiujie, Zhao, Mingwen, Zhang, Meng, Zhao, Lixia, Feng, Xiaojuan, Luo, Youhua

“…First-principles calculations are carried out to investigate the hydrogen separation characteristics of two-dimensional carbon allotropes consisting of sp- and…”
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A computational investigation of boron-doped chromium and chromium clusters by density functional theory by Ge, GuiXian, Jing, Qun, Luo, YouHua

“…The geometries, stabilities and electronic properties of Cr n and Cr n B ( n =2–9) clusters have been systematically investigated by density functional theory…”
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Is Free Cyclooctatetraene Dianion an Aromatic System? A Quantum Chemistry Study by Cao, Tingting, Ma, Yipei, Yan, Xiuhua, Cheng, Jiagao, Luo, Youhua, He, Liming, Zhu, Weiliang

“…To investigate whether free cyclooctatetraene dianion (COT2−) is aromatic, quantum chemistry methods were used to optimize its structure. Based on the…”
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Berberine administrated with different routes attenuates inhaled LPS-induced acute respiratory distress syndrome through TLR4/NF-κB and JAK2/STAT3 inhibition by Xu, Guanghui, Wan, Huiqi, Yi, Litao, Chen, Wei, Luo, Youhua, Huang, Yiqi, Liu, Xiaojuan

“…Accumulating evidence showed that berberine possessed the anti-inflammatory action in various diseases caused by inflammation. However, it was still unclear…”
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Single Layer of Polymeric Cobalt Phthalocyanine: Promising Low-Cost and High-Activity Nanocatalysts for CO Oxidation by Deng, Qingming, Zhao, Lina, Gao, Xingfa, Zhang, Meng, Luo, Youhua, Zhao, Yuliang

“…The catalytic behavior of transition metals (Sc to Zn) combined in polymeric phthalocyanine (Pc) is investigated systematically by using first‐principles…”
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First‐principles studies of lithium adsorption and diffusion on silicene with grain boundaries by Wang, Xiao, Liu, Huazhong, Huttula, Marko, Luo, Youhua, Zhang, Meng, Cao, Wei

“…As a close relative to graphene, silicene is advanced in high lithium capacity, yet attracting various manipulation strategies to promote its role in energy…”
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First-principles investigations of chirality in trimetallic alloy clusters: AlMnAun (n = 1-7) by Zhang, Meng, Zhang, Jianfei, Gu, Teng, Zhang, Hongyu, Luo, Youhua, Cao, Wei

“…Chirality, also called handedness, plays a crucial role in function ranging from biological self-assembly schemes, organic polymer functionalities, to optical…”
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Magnetic MoS2 pizzas and sandwiches with Mnn (n = 1–4) cluster toppings and fillings: A first-principles investigation by Zhang, Meng, Huang, Zhongjia, Wang, Xiao, Zhang, Hongyu, Li, Taohai, Wu, Zhaolong, Luo, Youhua, Cao, Wei

“…The inorganic layered crystal (ILC) MoS 2 in low dimensions is considered as one of the most promising and efficient semiconductors. To enable the magnetism…”
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Low-Energy Isomer Identification, Structural Evolution, and Magnetic Properties in Manganese-Doped Gold Clusters MnAu n (n = 1–16) by Zhang, Meng, Zhang, Hongyu, Zhao, Lina, Li, Yan, Luo, Youhua

“…The size-dependent electronic, structural, and magnetic properties of Mn-doped gold clusters have been systematically investigated by using relativistic…”
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Evolution of lithium clusters to superatomic Li3O by Pauna, Henri, Shi, Xinying, Huttula, Marko, Kokkonen, Esko, Li, Taohai, Luo, Youhua, Lappalainen, Jyrki, Zhang, Meng, Cao, Wei

“…Accurate knowledge of the oxidation stages of lithium is crucially important for developing next-generation Li-air batteries. The intermediate oxidation…”
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Structures of Nanoalloy Clusters Au n Al n (n = 1–10) and the Growth Patterns to the Bulk Phase by Wang, Xiao, Adeleke, Adebayo A, Cao, Wei, Luo, Youhua, Zhang, Meng, Yao, Yansun

“…Gold nanoclusters have attracted intense interests due to their unique applications as catalysts. The properties of the gold clusters can often be extended…”
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First-principles study of monolayer MoS2 with deficient and excessive Mon and Sn (n=−3→3) clusters on 5×5 supercells by Wu, Zhaolong, Wang, Yuyi, Ye, Yuezhen, Feng, Jinming, Zhang, Meng, Luo, Youhua, He, Liming, Cao, Wei

“…[Display omitted] •First-principles predictions of monolayer 2D MoS2 doped with component element and clusters.•Electronic and magnetic properties tunable by…”
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First-Principles Investigations of Chirality in Trimetallic Alloy Clusters: AlMnAu n (n = 1–7) by Zhang, Meng, Zhang, Jianfei, Gu, Teng, Zhang, Hongyu, Luo, Youhua, Cao, Wei

“…Chirality, also called handedness, plays a crucial role in function ranging from biological self-assembly schemes, organic polymer functionalities, to optical…”
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First-principles study of monolayer MoS2 with deficient and excessive Mo and S (n= −3 → 3) clusters on 5 × 5 supercells by Wu, Zhaolong, Wang, Yuyi, Ye, Yuezhen, Feng, Jinming, Zhang, Meng, Luo, Youhua, He, Liming, Cao, Wei

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First-principles study of monolayer MoS2 with deficient and excessive Mo n and S n (n =-3 arrow right 3) clusters on 55 supercells by Wu, Zhaolong, Wang, Yuyi, Ye, Yuezhen, Feng, Jinming, Zhang, Meng, Luo, Youhua, He, Liming, Cao, Wei

“…Unique structural and electric properties of inorganic layered crystals (ILCs) have enlarged their functions as hosting matrixes in material manipulations…”
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