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排序方式: 共有4787条查询结果,搜索用时 218 毫秒
101.
102.
由低维InAs材料和其他二维层状材料堆叠而成的垂直范德华异质结构在纳米电子、光电子和量子信息等新兴领域中应用广泛。探索跨结界面的电荷转移机制对于全面理解该类器件的非凡特性至关重要。第一性原理计算在揭示界面电荷转移特性与各种能量稳定型InAs基范德华异质结的电、光、磁等原理物理特性和器件性能变化之间的内在关系方面发挥着不可比拟的作用。文中梳理、总结和探讨了近年来InAs基范德华异质结间界面电荷转移特性的理论研究工作与潜在的功能应用,提出在理论方法和计算精度方面大力发展第一性原理计算的几个途径,为更好地开展InAs基范德华异质结的基础科学研究和应用器件设计提供可借鉴的量化研究基础。 相似文献
103.
Yi Lu Hao Zhang Yida Wang Xiaorong Zhu Weiping Xiao Haolan Xu Gaoran Li Yafei Li Deqi Fan Haibo Zeng Zupeng Chen Xiaofei Yang 《Advanced functional materials》2023,33(21):2215061
The rational design of economic and high-performance electrocatalytic water-splitting systems is of great significance for energy and environmental sustainability. Developing a sustainable energy conversion-assisted electrocatalytic process provides a promising novel approach to effectively boost its performance. Herein, a self-sustained water-splitting system originated from the heterostructure of perovskite oxide with 2D Ti3C2Tx MXene on Ni foam (La1-xSrxCoO3/Ti3C2Tx MXene/Ni) that shows high activity for solar-powered water evaporation and simultaneous electrocatalytic water splitting is presented. The all-in-one interfacial electrocatalyst exhibits highly improved oxygen evolution reaction (OER) performance with a low overpotential of 279 mV at 10 mA cm−2 and a small Tafel slope of 74.3 mV dec−1, superior to previously reported perovskite oxide-based electrocatalysts. Density functional theory calculations reveal that the integration of La0.9Sr0.1CoO3 with Ti3C2Tx MXene can lower the energy barrier for the electron transfer and decrease the OER overpotential, while COMSOL simulations unveil that interfacial solar evaporation could induce OH− enrichment near the catalyst surfaces and enhance the convection flow above the catalysts to remove the generated gas, remarkably accelerating the kinetics of electrocatalytic water splitting. 相似文献
104.
Mei Yang Kean Chen Hui Li Yuliang Cao Hanxi Yang Xinping Ai 《Advanced functional materials》2023,33(47):2306828
Many organic solvents have excellent solution properties, but fail to serve as lithium-ion batteries (LIBs) electrolyte solvents, due to their electrochemical incompatibility with graphite anodes. Herein, a new strategy is proposed to address this issue by introducing a surface-adsorbed molecular layer to regulate the interfacial solvation structure without the alteration of electrolyte composition and properties. As a proof-of-concept study, it is demonstrated for the first time that the intrinsically incompatible propylene carbonate (PC)-based electrolyte becomes completely compatible with graphite anodes by introducing a layer of adsorbed hexafluorobenzene (HFB) molecules to weaken the Li+-PC coordination strength and facilitate the interfacial desolvation process. As a consequence, the graphite/ NCM811 pouch cells using the PC-based electrolyte containing only 1 vol.% HFB demonstrate excellent long-term cycling stabilities over 1150 cycles. This strategy is also proved to be applicable to other ethylene carbonate (EC)–free electrolytes, thus providing a new avenue for developing advanced LIB electrolytes. 相似文献
105.
Huimin Yu Deyu Wang Huanyu Jin Pan Wu Xuan Wu Dewei Chu Yi Lu Xiaofei Yang Haolan Xu 《Advanced functional materials》2023,33(24):2214828
Improving interfacial solar evaporation performance is crucial for the practical application of this technology in solar-driven seawater desalination. Lowering evaporation enthalpy is one of the most promising and effective strategies to significantly improve solar evaporation rate. In this study, a new pathway to lower vaporization enthalpy by introducing heterogeneous interactions between hydrophilic hybrid materials and water molecules is developed. 2D MoN1.2 nanosheets are synthesized and integrated with rGO nanosheets to form stacked MoN1.2-rGO heterostructures with massive junction interfaces for interfacial solar evaporation. Molecular dynamics simulation confirms that atomic thick 2D MoN1.2 and rGO in the MoN1.2-rGO heterostructures simultaneously interact with water molecules, while the interactions are remarkably different. These heterogeneous interactions cause an imbalanced water state, which easily breaks the hydrogen bonds between water molecules, leading to dramatically lowered vaporization enthalpy and improved solar evaporation rate (2.6 kg m−2 h−1). This study provides a promising strategy for designing 2D-2D heterostructures to regulate evaporation enthalpy to improve solar evaporate rate for clean water production. 相似文献
106.
Chi Guo Kang Du Runming Tao Yaqing Guo Shuhao Yao Jianxing Wang Deyu Wang Jiyuan Liang Shih-Yuan Lu 《Advanced functional materials》2023,33(29):2301111
Lithium metal (LM) is a promising anode material for next generation lithium ion based electrochemical energy storage devices. Critical issues of unstable solid electrolyte interphases (SEIs) and dendrite growth however still impede its practical applications. Herein, a composite gel polymer electrolyte (GPE), formed through in situ polymerization of pentaerythritol tetraacrylate with fumed silica fillers, is developed to achieve high performance lithium metal batteries (LMBs). As evidenced theoretically and experimentally, the presence of SiO2 not only accelerates Li+ transport but also regulates Li+ solvation sheath structures, thus facilitating fast kinetics and formation of stable LiF-rich interphase and achieving uniform Li depositions to suppress Li dendrite growth. The composite GPE-based Li||Cu half-cells and Li||Li symmetrical cells display high Coulombic efficiency (CE) of 90.3% after 450 cycles and maintain stability over 960 h at 3 mA cm−2 and 3 mAh cm−2, respectively. In addition, Li||LiFePO4 full-cells with a LM anode of limited Li supply of 4 mAh cm−2 achieve capacity retention of 68.5% after 700 cycles at 0.5 C (1 C = 170 mA g−1). Especially, when further applied in anode-free LMBs, the carbon cloth||LiFePO4 full-cell exhibits excellent cycling stability with an average CE of 99.94% and capacity retention of 90.3% at the 160th cycle at 0.5 C. 相似文献
107.
Jiafeng Zhu Qingyuan Bi Yinghao Tao Wenyao Guo Jinchen Fan Yulin Min Guisheng Li 《Advanced functional materials》2023,33(15):2213131
Designing and developing visible-light-responsive materials for solar to chemical energy is an efficient and promising approach to green and sustainable carbon-neutral energy systems. Herein, a facile in situ growth hydrothermal strategy using Mo-modified ZnIn2S4 (Mo-ZIS) nanosheets coupled with NiTiO3 (NTO) microrods to synthesize multifunctional Mo-modified ZIS wrapped NTO microrods (Mo-ZIS@NTO) photocatalyst with enhanced interfacial electric field (IEF) effect and typical S-scheme heterojunction is reported. Mo-ZIS@NTO catalyst possesses wide-spectrum light absorption properties, excellent visible light-to-thermal energy effect, electron mobility, charges transfer, and strong IEF and exhibits excellent solar-to-chemical energy conversion for efficient visible-light-driven photocatalytic hydrogen evolution. Notably, the engineered Mo1.4-ZIS@NTO catalyst exhibits superior performance with H2 evolution rate of up to 14.06 mmol g−1 h− 1 and the apparent quantum efficiency of 44.1% at 420 nm. The scientific explorations provide an in-depth understanding of microstructure, S-scheme heterojunction, enhanced IEF, Mo-dopant facilitation effect. Moreover, the theoretical simulations verify the critical role of Mo element in promoting the adsorption and activation of H2O molecules, modulating the H adsorption behavior on active S sites, and thus accelerating the overall catalytic efficiency. The photocatalytic hydrogen evolution mechanism via S-scheme heterojunction with adjustable IEF regulation over Mo1.4-ZIS@NTO is also demonstrated. 相似文献
108.
Yong Ryun Kim Oskar J. Sandberg Stefan Zeiske Gregory Burwell Drew B. Riley Paul Meredith Ardalan Armin 《Advanced functional materials》2023,33(16):2300147
Poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) has been one of the most established hole transport layers (HTL) in organic solar cells (OSCs) for several decades. However, the presence of PSS− ions is known to deteriorate device performance via a number of mechanisms including diffusion to the HTL-active layer interface and unwanted local chemical reactions. In this study, it is shown that PSS− ions can also result in local p-doping in the high efficiency donor:non-fullerene acceptor blends – resulting in photocurrent loss. To address these issues, a facile and effective approach is reported to improve the OSC performance through a two-component hole transport layer (HTL) consisting of a self-assembled monolayer of 2PACz ([2-(9H-Carbazol-9-yl)ethyl]phosphonic acid) and PEDOT:PSS. The power conversion efficiency (PCE) of 17.1% using devices with PEDOT:PSS HTL improved to 17.7% when the PEDOT:PSS/2PACz two-component HTL is used. The improved performance is attributed to the overlaid 2PACz layer preventing the formation of an intermixed p-doped PSS− ion rich region (≈5–10 nm) at the bulk heterojunction-HTL contact interface, resulting in decreased recombination losses and improved stability. Moreover, the 2PACz monolayer is also found to reduce electrical shunts that ultimately yield improved performance in large area devices with PCE enhanced from 12.3% to 13.3% in 1 cm2 cells. 相似文献
109.
纤维混凝土的韧性来源于纤维的桥接作用,而桥接作用的核心问题是纤维与水泥基体的黏结性能。为了探究纤维对混凝土的增韧机理,本文开展了不同养护龄期(0~28 d)、拔出速率(1~30 mm/min)、纤维锚固长度(10~60 mm)以及粉煤灰掺量(0~30%)下聚丙烯纤维水泥基砂浆的单根纤维拔出试验(single fiber pull-out test,SFPT),基于能量耗散原理和试验数据,建立了聚丙烯纤维水泥基砂浆韧性指数与纤维拔出过程中吸能指数的数学关系,提出了基于广义灰色关联理论的界面黏结强度影响因素计算分析方法。研究结果表明:随着养护龄期、拔出速率和纤维锚固长度的增加,聚丙烯纤维水泥基体界面黏结强度均逐渐增大,但纤维的韧性指数在养护18 h时较佳,拔出速率6 mm/min、锚固长度20 mm时最佳。当粉煤灰掺量为20%左右,纤维-水泥基体界面黏结性能最佳。并基于广义灰色关联分析法,阐明了四种因素与界面黏结强度的数学关联,研究成果可以为纤维水泥基砂浆的设计与应用提供理论支撑。 相似文献
110.
In this article, a three-dimensional solution is presented for the bending analysis of functionally graded and layered neutral magneto-electro-elastic plates resting on two-parameter elastic foundations, considering imperfect interfacial bonding. The equations of motion, Gauss's equations for electrostatics and magnetostatics, and boundary and interface conditions are satisfied exactly regardless of the number of layers. No assumptions on deformations, stresses, and magnetic and electric fields along the thickness direction are introduced. The interfacial imperfection is modeled using a generalized spring layer. The state-space method is employed for solving the governing partial differential equations. Effects of a two-parameter elastic foundation, gradient index, bonding imperfection, and applied mechanical and electrical loads on the response of the functionally graded magneto-electro-elastic plate are discussed. The obtained exact solution can serve as a benchmark for assessing the accuracy of layered functionally graded magneto-electro-elastic plate theories. 相似文献