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| 1 | Radiation reaction induced spiral attractors in ultra-intense colliding laser beams显示文摘The radiation reaction effects on electron dynamics in counter-propagating circularly polarized laser beams are investigated through the linearization theorem and the results are in great agreement with numeric solutions.For the first time,the properties of fixed points in electron phase-space were analyzed with linear stability theory,showing that center nodes will become attractors if the classical radiation reaction is considered.Electron dynamics are significantly affected by the properties of the fixed points and the electron phase-space densities are found to be increasing exponentially near the attractors.The density growth rates are derived theoretically and further verified by particle-in-cell sim-ulations,which can be detected in experiments to explore the effects of radiation reaction qualitatively.The attractor can also facilitate realizing a series of nanometer-scaled flying electron slices via adjusting the colliding laser frequencies. | Zheng Gong Ronghao Hu Yinren Shou Bin Qiao Chiaer Chen Furong Xu Xiantu He Xueqing Yan | 2016 | Matter and Radiation at Extremes2016，1，6： | 2 |
| 2 | Genetic algorithm aided density functional theory simulations unravel the kinetic nature of Au(100) in catalytic CO oxidation显示文摘Heterogeneous catalysis is of tremendous importance to modern industries. Exposed atoms of heterogeneous catalysts are heavily involved in surface processes such as the adsorption, activation, diffusion and reaction of substrate molecules. Surfaces of metal or metal oxide based catalysts are usually taken as hard templates that only undergo limited relaxation during catalytic reactions, especially in theoretical simulations. In this work, by using genetic algorithm (GA) aided density functional theory (DFT) calculations, we studied the surface processes involved in CO oxidation on the Au(100) surface. The use of GA greatly improves the capacity of DFT calculations in locating the potential energy surface (PES) of the surface reactions, and surprisingly, it has been found that the Au(100) surface can undergo drastic reconstruction under the influence of O adsorption and the adapted partially oxidized Au surface exhibits unique activities for subsequent adsorptions and reactions. This work depicts the kinetic nature of the Au (100) surface in its catalyzed reactions and also significantly expands our understanding of how surface atoms act in heterogeneous catalysis. | Yi Fang Xueqing Gong | 2019 | Chinese Chemical Letters2019，30，6： | 1 |
| 3 | Realization approach of Pd-only three-way catalysts with high catalytic performance and thermal stability显示文摘Pd-only three-way catalyst(TWC),Pd supported on washcoating(the mixture of alumina and Ce-Zr solid solution)/cordierite,was prepared and its catalytic performance and the operation window(λ-value)at 450°C were evaluated with the simulated automotive exhaust feed gas.Surfactants such as Tween-80 and Span-20 were added in the process of preparing the catalyst in order to improve the thermal stability and catalytic performance of Pd-only TWC.The fresh and aged catalysts at 1000°C for4 h were characterized by low-temperature N2 adsorption,XRD,XPS,and H2-TPR techniques.The results show that the presence of surfactants in the synthesis slurry could influence the physicochemical properties of the final Pd-only TWC.The FTS catalyst prepared with the mixed surfactant of Tween-80 and Span-20 exhibited excellent three-way catalytic performance.After being aged at 1000°C for 4 h,the catalytic performances of Pd-only TWCs slightly decreased,but the FTS catalyst still demonstrated higher catalytic performance and better thermal stability compared with the Pd-only catalysts prepared with single surfactant or without any surfactant.And the FTS catalyst has a widerλvalue(operation window)than other catalysts,even after being aged at 1000°C. | Yutao Ren Qun Shen Yun Guo Yanqin Wang Yanglong Guo Xueqing Gong Guanzhong Lu | 2015 | Science China Chemistry2015，58，1： | 1 |
| 4 | Methanol Dynamically Activated Room-Temperature Phosphorescence from a Twisted 4-Bromobiphenyl System显示文摘Crystal engineering is employed widely in developing metal-free room-temperature phosphorescence(RTP)materials,buttheweakresponsiveness inrigid stateand poor selectivity during crystallization limit the research of RTP materials with specific recognition properties.Herein,based on multicomponent crystallization and the deformation of phosphor,we have developed a galactose-functionalized polyhydric compound(BHB)with a twisted 4-bromobiphenyl structure,to realize methanol selectively activated“off–on”RTP system.Methanol molecules selectively formed solvate with BHB and rigidified the crystal structure by enriching intermolecular noncovalent interactions.Meanwhile,the distortion of the biphenyl group facilitated the intersystem crossing process effectively,alongside the heavy-atom effect from the bromo substitute,thereby,activating the RTP of BHB.Thus our current research approach realizes RTPmaterials with selective recognition function by controlling multiple noncovalent interactions such as hydrogen and halogen bonding of molecular systems with structurally distorted phosphors. | Zhiyi Yuan Jie Wang Lu Chen Lei Zou Xueqing Gong Xiang Ma | 2020 | CCS Chemistry2020，2，3： | 1 |
| 5 | Effect of age at cochlear implantation on auditory and speech development of children with auditory neuropathy spectrum disorder显示文摘 | Yuying Liu Ruijuan Dong Yuling Li Tianqiu Xu Yongxin Li Xueqing Chen Shusheng Gong | 2014 | Auris Nasus Larynx2014，，6： | 1 |
| 6 | Personalized query evaluation in ring-based P2P networks显示文摘 | Minqi Zhou Heng Tao Shen Xueqing Gong Weining Qian Aoying Zhon | | 0，，220： | 1 |
| 7 | A Low Power, Fully Integrated SiGe BiCMOS Baseband Circuitry for a Direct Conversion CMMB Tuner IC显示文摘 | GONG Zheng CHEN Bei HU Xueqing SHI Yin Fa Foster Dai | 2012 | Chinese Journal of Electronics2012，21，2： | 1 |
| 8 | Chemical Linkage and Passivation at Buried Interface for Thermally Stable Inverted Perovskite Solar Cells with Efficiency over 22%显示文摘Poly[bis(4-phenyl)-(2,4,6-trimethylphenyl)amine](PTAA)has been developed as one of the most popular hole transport layer(HTL)materials in inverted perovskite solar cells(PSCs).However,the efficiency,thermal stability,and reproducibility of PTAA-based devices are still largely limited by underoptimized chemical interaction,energy level alignment,and contact affinity at the PTAA/perovskite interface.To this end,we introduced a bilateral chemical linker to simultaneously achieve favorable chemical interaction with the PTAA underlayer and form robust coordination bonding with the buried perovskite bottom layer,which beneficially improved the contact affinity,facilitated the hole extraction,well-passivated the interfacial defects,and relieved the nonradiative charge recombination at the HTL/perovskite buried interface.The inverted PSCs modified with interfacial chemical linker exhibited consistently higher power conversion efficiencies and performance reproducibility than that of the PTAA-only devices.Combined with the blade-coated FA0.4MA0.6PbI3 perovskite layer,a champion efficiency of 22.23%has been achieved,which is one of the highest reported values for the inverted PSCs based on the bilayer HTL.The targeted device showed enhanced thermal stability under continuous heating at 85℃ owing to suppressed composition segregation with robust interfacial linkage and consolidation.This work offers a new insight towards making efficient,thermally stable,and reproducible perovskite photovoltaics. | Ying Tan Xueqing Chang Jun-Xing Zhong Wenhuai Feng Meifang Yang Tian Tian Li Gong Wu-Qiang Wu | 2023 | CCS Chemistry2023，5，8： | 0 |
| 9 | Relationships between the activities and Ce^(3+)concentrations of CeO_(2)(111)for CO oxidation:A first-principle investigation显示文摘CO oxidation at ceria surfaces has been studied for decades,and many efforts have been devoted to understanding the effect of surface reduction on the catalytic activity.In this work,we theoretically studied the CO oxidation on the clean and reduced CeO_(2)(111)surfaces using different surface cells to dete rmine the relationships between the reduction degrees and calculated reaction energetics.It is found that the calculated barrier for the direct reaction between CO and surface lattice O drastically decreases with the increase of surface reduction degree.From electronic analysis,we found that the surface reduction can lead to the occurrence of localized electrons at the surface Ce,which affects the charge distribution at surface O.As the result,the surface O becomes more negatively charged and therefore more active in reacting with CO.This work then suggests that the localized 4 f electron reservoir of Ce can act as the'pseudo-anion'at reduced CeO_(2) surfaces to activate surface lattice O for catalytic oxidative reactions. | Jiyuan Liu Xueqing Gong | 2021 | Chinese Chemical Letters2021，32，3： | 0 |
| 10 | Efficient dye-sensitized solar cells based on concerted companion dyes:Systematic optimization of thiophene units in the organic dye components显示文摘To develop efficient concerted companion(CC)dyes for fabricating high-performance DSSCs,three organic dyes XL1-XL3 have been designed by varying the position and number of theβ-hexylthiophene(HT)bridges,and these organic dye units are covalently linked with our previously reported porphyrin dye XW10 to construct the corresponding CC dyes XW74-XW76.Among the organic dyes,XL3 contains twoβ-hexylthiophene units at both the donor and acceptor parts and thus possesses stronger light-harvesting capability in the green light region.Because of the most complementary absorption between XL3 and XW10 as well as the excellent photovoltaic behavior of the individual XL3 dye,the corresponding CC dye XW76 affords the best PCE(10.78%)among all the CC dyes.Upon coadsorption with CDCA,XW76 affords a highest PCE of 11.35%,which outperforms the previous cosensitization system of XW10+WS-5.This work provides an approach for developing efficient DSSCs based on CC dyes composed of an organic dye unit with suitableπspacers inserted at appropriate positions. | Jiaxin Luo Zhengli Xie Jiazhi Zou Xinyan Wu Xueqing Gong Chengjie Li Yongshu Xie | 2022 | Chinese Chemical Letters2022，33，9： | 0 |
| 11 | Enhanced recycling performance of bimetallic Ir-Re/SiO_(2) catalyst by amberlyst-15 for glycerol hydrogenolysis显示文摘Recycling performance of heterogeneous catalysts is of crucial importance especially for a batch reaction system.In this work,we demonstrate a strategy for enhancing recycling performance of Ir-Re/SiO_(2) catalyst synergized with amberlyst-15 in glycerol hydrogenolysis to produce 1,3-propanediol.Comprehensive characterization results reveal that the Re sites in the Ir-Re/SiO_(2) catalyst undergo irreversible segregation and oxidation.These hinder the formation of active ReAOH species and thus contribute to a complete and irreversible deactivation.However,the introduction of amberlyst-15 into the reactant mixture can restrain the oxidation process of Re sites and favor the formation of ReAOH species,and thus significantly enhance the catalytic recycling performance.The results demonstrated here could guide the development of excellent bimetallic catalysts with the desirable recycling performances for the reaction. | Xin Ren Li Leng Yueqiang Cao Jing Zhang Xuezhi Duan Xueqing Gong Jinghong Zhou Xinggui Zhou | 2022 | Chinese Journal of Chemical Engineering2022，35，5： | 0 |
| 12 | FeOOH photo-deposited perylene linear polymer with accelerated charge separation for photocatalytic overall water splitting显示文摘It is a challenge to develop single polymer-based photocatalyst for overall water splitting without adding sacrificial agents due to the insufficient driving force for charge separation and the lack of active sites of organic polymer.Metal oxyhyroxides are widely acted as co-catalyst for photoelectrocatalysis oxygen evolution reaction.Here,we firstly report the peryleno[1,12-bcd]thiophene sulfone-based linear co-polymer PS-5 for photocatalytic overall water splitting by photo-depositing simple and low-cost cocatalyst FeOOH under the visible-light illumination.The density functional theory(DFT)calculations and experimental results indicated clearly that the oxygen vacancies-richβ-FeOOH can effectively promote the separation of photo-generated excitons and provide active sites for photocatalytic oxygen evolution reaction.As a result,the average H_(2)and O_(2)production rates of optimized PS-5/β-FeOOH-0.2M reach at~170 and~76.6μmol h^(-1)g^(-1),respectively,with a stoichiometric ratio at about 2:1.This work provides a simple and low-cost method for the preparation of overall water splitting system based on polymer photocatalyst. | Haonan Ye Zhiqiang Wang Ke Hu Wenjun Wu Xueqing Gong Jianli Hua | 2022 | Science China Chemistry2022，65，1： | 0 |
| 13 | A comparative DFT+U study of CO oxidation on Pd-and Zr-doped ceria显示文摘Metal-doped ceria catalysts have been applied in many important catalytic processes.In this work,we performed density functional theory calculations corrected by on-site Coulomb interactions to study the Pd-and Zr-doped CeO_(2)(111) surfaces with the dopant at different locations.The formation of oxygen vacancies and CO oxidation were systematically calculated on the various doped surfaces.We find that both Pd and Zr doping can activate the surface lattice O and reduce the energy barriers of CO oxidation.However,the promotion effect of the Zr dopant is limited to its existence in the first surface layer,while for the Pd dopant,the surface activity can be greatly enhanced even it occurs far below the surface.Besides,CO_(2) can be generated directly on the Pd-doped surfaces through reaction between CO and surface O,while the surface intermediate CO_(2)^(δ-) may readily form and restrict the releasing of CO_(2) by further oxidation to carbonates on the Zr-doped surfaces.Electronic analyses show that the doped Pd exists as Pd^(4+) and it has stronger electron affinity than other surface species during CO oxidation,contributing to the easy Pd^(4+) to Pd^(2+) transformation accompanied by direct CO_(2) formation at Pd-doped ceria. | Lu Chen Xinping Wu Xueqing Gong | 2023 | Journal of Rare Earths2023，41，7： | 0 |
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