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A first‐principles‐based effective Hamiltonian is developed and employed to investigate finite‐temperature structural properties of a prototype of perovskite halides, that is CsPbI3. Such simulations, when using first‐principles‐extracted coefficients, successfully reproduce the existence of an orthorhombic Pnma state and its iodine octahedral tilting angles around room temperature. However, they also yield a direct transformation from Pnma to cubic upon heating, unlike measurements that reported the occurrence of an intermediate long‐range‐tilted tetragonal P4/mbm phase in‐between the orthorhombic and cubic phases. Such disagreement, which may cast some doubts about the extent to which first‐principle methods can be trusted to mimic hybrid perovskites, can be resolved by “only” changing one short‐range tilting parameter in the whole set of effective Hamiltonian coefficients. In such a case, some reasonable values of this specific parameter result in the predictions that i) the intermediate P4/mbm state originates from fluctuations over many different tilted states; and ii) the cubic phase is highly locally distorted and develops strong transverse antiphase correlation between first‐nearest neighbor iodine octahedral tiltings, before undergoing a phase transition to P4/mbm under cooling. 相似文献
94.
既有公共建筑能耗中,围护结构节能潜力巨大。以兰州某既有办公建筑为例,采用DeST-C软件模拟围护结构不同材料厚度、窗型,得出系列负荷,通过对数据分析、比较,得出如下结论:外墙外保温适宜材料为50mm的挤塑板,最大热负荷节能率为45.66%;屋面适宜保温材料为65mm的挤塑板,最大热负荷节能率为4.25%;外窗各个朝向全部更换玻璃,推荐选用内张膜中空玻璃(双膜),最大热负荷节能率为7.36%;单独更换南向外窗材料,推荐选用真空镀膜复合中空玻璃,最大热负荷节能率为1.78%。 相似文献
95.
Lin Haicheng Huang Wantong Zhao Kun Qiao Shuang Liu Zheng Wu Jian Chen Xi Ji Shuai-Hua 《Nano Research》2020,13(1):133-137
Nano Research - The isostructural and isoelectronic transition-metal-dichalcogenides 1T-TaS2 and 1T-TaSe2 are layered materials with intricate electronic structures. Combining the molecular beam... 相似文献
96.
Chengxiao Zhao Zupeng Chen Run Shi Xiaofei Yang Tierui Zhang 《Advanced materials (Deerfield Beach, Fla.)》2020,32(28):1907296
With the ambition of solving the challenges of the shortage of fossil fuels and their associated environmental pollution, visible-light-driven splitting of water into hydrogen and oxygen using semiconductor photocatalysts has emerged as a promising technology to provide environmentally friendly energy vectors. Among the current library of developed photocatalysts, organic conjugated polymers present unique advantages of sufficient light-absorption efficiency, excellent stability, tunable electronic properties, and economic applicability. As a class of rising photocatalysts, organic conjugated polymers offer high flexibility in tuning the framework of the backbone and porosity to fulfill the requirements for photocatalytic applications. In the past decade, significant progress has been made in visible-light-driven water splitting employing organic conjugated polymers. The recent development of the structural design principles of organic conjugated polymers (including linear, crosslinked, and supramolecular self-assembled polymers) toward efficient photocatalytic hydrogen evolution, oxygen evolution, and overall water splitting is described, thus providing a comprehensive reference for the field. Finally, current challenges and perspectives are also discussed. 相似文献
97.
Qi Yang Qilong Wu Yang Liu Shuiping Luo Xiaotong Wu Xixia Zhao Haiyuan Zou Baihua Long Wen Chen Yujia Liao Lanxi Li Pei Kang Shen Lele Duan Zewei Quan 《Advanced materials (Deerfield Beach, Fla.)》2020,32(36):2002822
Engineering novel Sn-based bimetallic materials could provide intriguing catalytic properties to boost the electrochemical CO2 reduction. Herein, the first synthesis of homogeneous Sn1−xBix alloy nanoparticles (x up to 0.20) with native Bi-doped amorphous SnOx shells for efficient CO2 reduction is reported. The Bi-SnOx nanoshells boost the production of formate with high Faradaic efficiencies (>90%) over a wide potential window (−0.67 to −0.92 V vs RHE) with low overpotentials, outperforming current tin oxide catalysts. The state-of-the-art Bi-SnOx nanoshells derived from Sn0.80Bi0.20 alloy nanoparticles exhibit a great partial current density of 74.6 mA cm−2 and high Faradaic efficiency of 95.8%. The detailed electrocatalytic analyses and corresponding density functional theory calculations simultaneously reveal that the incorporation of Bi atoms into Sn species facilitates formate production by suppressing the formation of H2 and CO. 相似文献
98.
Wenshu Chen Jiajun Gu Yongping Du Fang Song Fanxing Bu Jinghan Li Yang Yuan Ruichun Luo Qinglei Liu Di Zhang 《Advanced functional materials》2020,30(25)
Large‐scale production of hydrogen from water‐alkali electrolyzers is impeded by the sluggish kinetics of hydrogen evolution reaction (HER) electrocatalysts. The hybridization of an acid‐active HER catalyst with a cocatalyst at the nanoscale helps boost HER kinetics in alkaline media. Here, it is demonstrated that 1T–MoS2 nanosheet edges (instead of basal planes) decorated by metal hydroxides form highly active / heterostructures, which significantly enhance HER performance in alkaline media. Featured with rich / sites, the fabricated 1T–MoS2 QS/Ni(OH)2 hybrid (quantum sized 1T–MoS2 sheets decorated with Ni(OH)2 via interface engineering) only requires overpotentials of 57 and 112 mV to drive HER current densities of 10 and 100 mA cm?2, respectively, and has a low Tafel slope of 30 mV dec?1 in 1 m KOH. So far, this is the best performance for MoS2‐based electrocatalysts and the 1T–MoS2 QS/Ni(OH)2 hybrid is among the best‐performing non‐Pt alkaline HER electrocatalysts known. The HER process is durable for 100 h at current densities up to 500 mA cm?2. This work not only provides an active, cost‐effective, and robust alkaline HER electrocatalyst, but also demonstrates a design strategy for preparing high‐performance catalysts based on edge‐rich 2D quantum sheets for other catalytic reactions. 相似文献
99.
Wireless Personal Communications - The traditional simultaneous wireless information and power transfer (SWIPT) system uses a part of signals to decode information, and the other part is used for... 相似文献
100.
Eui Dae Jung Amit Kumar Harit Do Hui Kim Chung Hyeon Jang Jong Hyun Park Shinuk Cho Myoung Hoon Song Han Young Woo 《Advanced materials (Deerfield Beach, Fla.)》2020,32(30):2002333
A series of anionic conjugated polyelectrolytes (CPEs) is synthesized based on poly(fluorene-co-phenylene) by varying the side-chain ionic density from two to six per repeat units (MPS2-TMA, MPS4-TMA, and MPS6-TMA). The effect of MPS2, 4, 6-TMA as interlayers on top of a hole-extraction layer of poly(bis(4-phenyl)-2,4,6-trimethylphenylamine (PTAA) is investigated in inverted perovskite solar cells (PeSCs). Owing to the improved wettability of perovskites on hydrophobic PTAA with the CPEs, the PeSCs with CPE interlayers demonstrate a significantly enhanced device performance, with negligible device-to-device dependence relative to the reference PeSC without CPEs. By increasing the ionic density in the MPS-TMA interlayers, the wetting, interfacial defect passivation, and crystal growth of the perovskites are significantly improved without increasing the series resistance of the PeSCs. In particular, the open-circuit voltage increases from 1.06 V for the PeSC with MPS2-TMA to 1.11 V for the PeSC with MPS6-TMA. The trap densities of the PeSCs with MPS2,4,6-TMA are further analyzed using frequency-dependent capacitance measurements. Finally, a large-area (1 cm2) PeSC is successfully fabricated with MPS6-TMA, showing a power conversion efficiency of 18.38% with negligible hysteresis and a stable power output under light soaking for 60 s. 相似文献