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国家自然科学基金(11274222)

作品数:5 被引量:12H指数:2
相关作者:任伟更多>>
相关机构:上海大学南京大学更多>>
发文基金:国家自然科学基金国家重点基础研究发展计划全球变化研究国家重大科学研究计划更多>>
相关领域:理学电子电信一般工业技术化学工程更多>>

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Nanodots of multiferroic oxide material BiFeO_3 from the first principles被引量:1
2013年
Multiferroic nanodots can be harnessed to aid the development of the next generation of nonvolatile data storage and multi-functional devices. In this paper, we review the computational aspects of multiferroic nanodot materials and designs that hold promise for the future memory technology. Conception, methodology, and sys- tematical studies are discussed, followed by some up-to-date experimental progress towards the ultimate limits. At the end of this paper, we outline some challenges remaining in multiferroic research, and how the first principles based approach can be employed as an important tool providing critical information to understand the emergent phenomena in multiferroics.
Wei Ren
关键词:MULTIFERROICNANODOT
Selected multiferroic perovskite oxides containing rare earth and transition metal elements被引量:2
2014年
Multiferroic materials are currently the subject of intensive research worldwide, because of both their fundamental scientific problems and also possible technological applications. Among a number of candidates in the laboratories, compounds consisting of rare earth and transition metal perovskite oxides have very unusual structural and physical properties. In contrast to the so-called type I multiferroics, ferroelectricity may be induced by magnetic ordering or by applying external fields. In this review, the recent progress on the experimental and theoretical studies of some selected type II multiferroics is presented, with a focus on the perovskite oxides containing rare earth and transition metal elements. The rare earth orthoferrite crystals, rare earth titanate strained film, and rare earthbased superlattices are systematically reviewed to provide a broad overview on their promising electric, magnetic, and structural properties. The recent experimental advances in single-crystal growth by optical floating zone method are also presented. First-principles investigations, either supported by experimental results or awaiting for experimental verifications, are shown to offer useful guidance for the future applications of unconventional multiferroics.
Shunbo HuLei ChenYabei WuLiming YuXinluo ZhaoShixun CaoJincang ZhangWei Ren
关键词:钙钛矿型氧化物铁电性钙钛矿氧化物外部磁场
Binding and conformation of dendrimer-based drug delivery systems:a molecular dynamics study
2015年
All atomistic molecular dynamics simulations were performed on poly (amidoamine) (PAMAM) dendrimers that compound non-covalently with anticancer drug molecules including DOX, MTX, CE6, and SN38. The binding energies as well as their associated interaction energies and deformation energies were combined to evaluate the relative binding strength among drug, PAMAM, and PEG chains. We find that the deformation of dendrimers due to drug loading plays a crucial role in the drug binding. It is energetically favorable for the drug molecules to bind with PAMAM while the drugs bind with PEG metastable chains via kinetic confinement. Surface PEGylation helps dendrimers to accommodate more drug molecules with greater strength without inducing too much expansion. This work indicates that tuning the functionalized terminal groups of dendrimers is critical to design efficient dendrimer-based drug delivery systems.
Fa-Da ZhangYi LiuJing-Cheng XuSheng-Juan LiXiu-Nan WangYue SunXin-Luo Zhao
关键词:DENDRIMERMOLECULARDYNAMICS
二硫化钼的电子输运与器件被引量:4
2014年
二硫化钼具有与石墨烯类似的二维层状结构,因其宽禁带、无悬挂键等特性,在以晶体管为代表的逻辑器件领域有广泛的应用;另外,单层二硫化钼为直接带隙半导体,在光电器件中应用也逐渐引起研究人员的关注.本文综述了近期基于二硫化钼晶体管器件电子输运研究、及其在电子、光电器件领域研究进展;除此,对于二维过渡金属二硫属化物中诸如二硫化钨、二硒化钨在器件方面应用也进行了简单的讨论.
邱浩王欣然
关键词:二硫化钼电子输运
钙钛矿型氧化物非常规铁电研究进展被引量:5
2018年
钙钛矿型氧化物因具有丰富的磁性、铁电、力学和光学等诸多功能属性,在电子信息通信材料器件领域中有广阔的应用前景.在各种物理性质之中,铁电极化因其产生机制多样,并能与磁性和晶格应变相互耦合形成多铁性等特点,近十多年来一直被作为凝聚态物理研究的国际热点问题.与以自发极化作为初级序参量的常规铁电材料不同,非常规铁电材料中的铁电极化是被其他的序参量诱导而产生的.本综述围绕无机钙钛矿型氧化物非常规铁电体的研究进展进行了总结.回顾了该体系经典唯象理论和原子尺度的微观模型,有序排列的人工钙钛矿超晶格型结构,以及稀土正铁氧体单晶的反铁磁畴壁结构中非常规铁电的极化强度大小及其诱导机制,为系统理解非常规铁电提供了理论途径.
赵国栋杨亚利任伟
关键词:钙钛矿超晶格反铁磁畴壁
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