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| 1 | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade显示文摘The ubiquitin system is important for drug discovery,and the discovery of selective small-molecule inhibitors of deubiquitinating enzymes (DUBs) remains an active yet extremely challenging task. With a few exceptions,previously developed inhibitors have been found to bind the evolutionarily conserved catalytic centers of DUBs,resulting in poor selectivity. The small molecule IU1 was the first-ever specific inhibitor identified and exhibited surprisingly excellent selectivity for USP14 over other DUBs. However,the molecular mechanism for this selectivity was elusive. Herein,we report the high-resolution co-crystal structures of the catalytic domain of USP14 bound to IU1 and three IU1 derivatives. All the structures of these complexes indicate that IU1 and its analogs bind to a previously unknown steric binding site in USP14,thus blocking the access of the C-terminus of ubiquitin to the active site of USP14 and abrogating USP14 activity. Importantly,this steric site in USP14 is very unique,as suggested by structural alignments of USP14 with several known DUB X-ray structures. These results,in conjunction with biochemical characterization,Indicate a coherent steric blockade mechanism for U5P14 inhibition by compounds of the IU series. In light of the recent report of steric blockade of USP7 by FT671,this work suggests a potential generally applicable allosteric mechanism for the regulation of DUBs via steric blockade,as showcased by our discovery of IU1-248 which is 10-fold more potent than IU1. | Yiwei Wang Yuxuan Jiang Shan Ding Jiawang Li Ningjing Song Yujing Ren Danning Hong Cai Wu Bin Li Feng Wang Wei He Jiawei Wang Ziqing Mei | 2018 | Cell Research2018，28，12： | 15 |
| 2 | Enhanced piezo-response in copper halide perovskites based PVDF composite films显示文摘In-situ fabricated perovskite nanocrystals in polymeric matrix provide new generation composite materials for plenty of cutting edge technology. In this work, we report the in-situ fabrication of copper halide perovskite(MA_2CuCl_4, MA:CH_3NH_3^+) embedded poly(vinylidene fluoride)(PVDF) composite films. The optimized MA_2CuCl_4/PVDF composite films exhibit greatly enhanced piezo-response in comparasion with pure PVDF films. The enhancements were invesitgated and explained by applying piezo-response force microscopy(PFM) measurements and density functional theory(DFT) caculations. We proposed that the high piezoelectric properties of MA_2CuCl_4/PVDF composite films could be related to the large Cu off-centering displacement, the strong interactions between MA_2CuCl_4 and PVDF as well as large stress concentration around the MA_2CuCl_4 particles in the films. These piezoelectric composite films are expected to be suitable functional materials for flexible and/or wearable piezoelectrics. | Sheng Huang Gang Tang Hailong Huang Xian-gang Wu Puming Zhou Lin Zou Lei Xie Jianming Deng Xueyun Wang Haizheng Zhong Jiawang Hong | 2018 | Science Bulletin2018，63，19： | 4 |
| 3 | Atomic-scale simulations for lithium dendrite growth driven by strain gradient显示文摘Dendrite formation is a major obstacle, e.g., capacity loss and short circuit,to the next-generation high-energy-density lithium(Li)-metal batteries. The development of successful Li dendrite mitigation strategies is impeded by an insu?cient understanding in Li dendrite growth mechanisms. The Li-plating-induced internal stress in Li-metal and its e?ects on dendrite growth have been widely studied, but the underlying microcosmic mechanism is elusive. In the present study, the role of the plating-induced stress in dendrite formation is analyzed through ?rst-principles calculations and ab initio molecular dynamic(AIMD) simulations. It is shown that the deposited Li forms a stable atomic nano?lm structure on the copper(Cu) substrate, and the adsorption energy of Li atoms increases from the Li-Cu interface to the deposited Li surface, leading to more aggregated Li atoms at the interface. Compared with the pristine Li-metal, the deposited Li in the early stage becomes compacted and su?ers the in-plane compressive stress. Interestingly,there is a giant strain gradient distribution from the Li-Cu interface to the deposited Li surface, making the deposited atoms adjacent to the Cu surface tend to press upwards with perturbation and causing the dendrite growth. This provides an insight into the atomicscale origin of Li dendrite growth, and may be useful for suppressing the Li dendrite in Li-metal-based rechargeable batteries. | Gao XU Feng HAO Jiawang HONG Daining FANG | 2020 | Applied Mathematics and Mechanics(English Edition)2020，41，4： | 1 |
| 4 | Flexo- electricity induced increase of critical thickness in epitaxial fer- roelectric thin films显示文摘 | ZHOU Hao HONG Jiawang ZHANG Yihui | 2012 | Physica B: Condensed Matter2012，407，： | 1 |
| 5 | Phonon anharmonicity:a pertinent review of recent progress and perspective显示文摘Anharmonic lattice vibrations play pivotal roles in the thermal dynamics in condense matters and affect how the atoms interact and conduct heat.An in-depth understanding of the microscopic mechanism of phonon anharmonicity in condensed systems is critical for developing better functional and energy materials.In recent years,various novel behaviors in condense matters driven by phonon anharmonic effects were discovered,such as soft mode phase transition,negative thermal expansion(NTE),multiferroicity,ultralow thermal conductivity(κ),high thermal resistance,and high-temperature superconductivity.These properties have endowed anharmonicity with many promising applications and provided remarkable opportunities for developing“Anharmonicity Engineering”-regulating heat transport towards excellent performance in materials.In this work,we review the recent development of studies on phonon anharmonic effect and summarize its origin,mechanism,research methods,and applications.Besides,the remaining challenges,future trends,and prospects of phonon anharmonicity are also discussed. | Bin Wei Qiyang Sun Chen Li Jiawang Hong | 2021 | Science China(Physics,Mechanics & Astronomy)2021，64，11： | 1 |
| 6 | Impeded degradation of perovskite solar cells via the dual interfacial modification of siloxane显示文摘It is challenging to improve the long-term stability of perovskite solar cells(PSCs) without sacrificing efficiency. The perovskite absorbers degrade from the film surface/interfaces, which follows entangled mechanisms that have not been fully revealed yet.Herein, we decouple and elaborate two distinctive pathways regarding film degradation based on FACsPbI3perovskites.Moreover, a dual interfacial modification strategy has been developed for improving the material’s intrinsic stability, thus leading to the film degrading in a more retardant pathway. The corresponding PSCs achieve a stable power output efficiency of 23.75%.More importantly, the unencapsulated PSCs devices retain over 93% of their initial PCE after the maximum power point(MPP)tracking under the continuous 1-sun illumination and show significantly improved stability after aged under the thermal treatment or stored in ambient atmosphere for over 1500 hours without obvious PCE decay. This work shows the importance of modulating the degradation pathway on stability improvement, and at the same time, proposes a strategy for designing perovskite-based optoelectronics with excellent performance and stability. | Xiao Zhang Changsu Cao Yang Bai Cheng Zhu Huachao Zai Sai Ma Yihua Chen Zhenhua Cui Congbo Shi Chenyue Wang Chenxiao Zhou Guizhou Yuan Ziyan Gao Jiawang Hong Jie Dou Hao Wang Huanping Zhou Hai Xiao Jun Li Qi Chen | 2022 | Science China Chemistry2022，65，11： | 0 |
| 7 | Breaking the symmetry of colloidal 2D nanoplatelets:Twist induced quantum coupling显示文摘Twist provides a new degree of freedom for nanomaterial modifications,which can provide novel physical properties.Here,colloidal two-dimensional(2D)twisted CdSe nanoplatelets(NPLs)are successfully fabricated and their morphology can change from totally flat to edge-twisted,and then to middle-twisted with prolonged reaction time.By combining experiments and corresponding theoretical analyses,we have established the length-dependent relationships between the surface energy and twist,with a critical lateral dimension of 30 nm.We found that the defects formed during the synthesis process play a vital role in generating intense stress that develops a strong torsion tensor around the edges,resulting in edge-twisted and final middletwisted NPLs.Furthermore,due to the geometric asymmetry of twisted NPLs,the dissymmetry factor of single particle NPLs can reach up to 0.334.Specifically,quantum coupling occurs in middle-twisted NPLs by twisting one parent NPL into two daughter NPLs,which are structurally and electronically coupled.This work not only further deepens our understanding of the twist mechanism of 2D NPLs during colloidal synthesis,but also opens a pathway for applications using twistronics and quantum technology. | Zahid Nazir Yingzhuo Lun Jialu Li Gaoling Yang Mingrui Liu Shuqi Li Gang Tang Guofeng Zhang Jiawang Hong Liantuan Xiao Haizheng Zhong | 2023 | Nano Research2023，16，7： | 0 |
| 8 | Stress compensation based on interfacial nanostructures for stable perovskite solar cells显示文摘The long-term stability issue of halide perovskite solar cells hinders their commercialization.The residual stress-strain affects device stability,which is derived from the mismatched thermophysical and mechanical properties between adjacent layers.In this work,we introduced the Rb_(2)CO_(3)layer at the interface of SnO_(2)/perovskite with the hierarchy morphology of snowflake-like microislands and dendritic nanostructures.With a suitable thermal expansion coefficient,the Rb_(2)CO_(3)layer benefits the interfacial stress relaxation and results in a compressive stress-strain in the perovskite layer.Moreover,reduced nonradiative recombination losses and optimized band alignment were achieved.An enhancement of open-circuit voltage from 1.087 to 1.153 V in the resultant device was witnessed,which led to power conversion efficiency(PCE)of 22.7%(active area of 0.08313 cm^(2))and 20.6%(1 cm2).Moreover,these devices retained 95%of its initial PCE under the maximum power point tracking(MPPT)after 2700 h.It suggests inorganic materials with high thermal expansion coefficients and specific nanostructures are promising candidates to optimize interfacial mechanics,which improves the operational stability of perovskite cells. | Cheng Zhu Xi Wang Hangxuan Li Chenyue Wang Ziyan Gao Pengxiang Zhang Xiuxiu Niu Nengxu Li Zipeng Xu Zhenhuang Su Yihua Chen Huachao Zai Haipeng Xie Yizhou Zhao Ning Yang Guilin Liu Xueyun Wang Huanping Zhou Jiawang Hong Xingyu Gao Yang Bai Qi Chen | 2023 | Interdisciplinary Materials2023，2，2： | 0 |
| 9 | Stable large-area monodomain in as-grown bulk ferroelectric single crystal Sn_(2)P_(2)S_(6)显示文摘Driven by the minimization of total energy,the multi-domain morphology is preferred in as-grown ferroelectrics to reduce the depolarization and strain energy during the paraelectric to ferroelectric phase transition.However,the complicated multi-domain is not desirable for certain high-performance ferroelectric electro-optic devices.In this work,we achieve a reproducible and stable large-area monodomain in as-grown bulk ferroelectric single crystal Sn_(2)P_(2)S_(6).The monodomain dominates the entire single crystal,which is attributed to the internal charge carriers from the photoexcited disproportionation reaction of Sn ions.The charge carriers effectively screen the depolarization field and therefore decrease the depolarization energy and facilitate the formation of monodomain.This work offers a potential approach for engineering bulk ferroelectrics with a stable monodomain,which is desirable for the high-performance ferroelectric electro-optic devices. | Yingzhuo Lun Jiaqian Kang Wenfu Zhu Jianming Deng Xingan Jiang Cheng Zhu Qi Ren Xian Zi Ziyan Gao Tianlong Xia Zishuo Yao Xueyun Wang Jiawang Hong | 2023 | Journal of Advanced Dielectrics2023，13，3： | 0 |
| 10 | Near-zero Poisson's ratio and suppressed mechanical anisotropy in strained black phosphorene/SnSe van der Waals heterostructure:a first-principles study显示文摘Black phosphorene(BP)and its analogs have attracted intensive attention due to their unique puckered structures,anisotropic characteristics,and negative Poisson’s ratio.The van der Waals(vdW)heterostructures assembly by stacking different materials show novel physical properties,however,the parent materials do not possess.In this work,the first-principles calculations are performed to study the mechanical properties of the vdW heterostructure.Interestingly,a near-zero Poisson’s ratio ν_(zx)is found in BP/SnSe heterostructure.In addition,compared with the parent materials BP and SnSe with strong in-plane anisotropic mechanical properties,the BP/SnSe heterostructure shows strongly suppressed anisotropy.The results show that the vdW heterostructure has quite different mechanical properties compared with the parent materials,and provides new opportunities for the mechanical applications of the heterostructures. | Qi REN Xingyao WANG Yingzhuo LUN Xueyun WANG Jiawang HONG | 2022 | Applied Mathematics and Mechanics(English Edition)2022，43，5： | 0 |
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