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Electrosynthesis and Memristive Properties of Metallopolymers with Distinct D-π Hybridizations
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作者 Jing Li Yong-Fang Li +1 位作者 Ling-Yun Shen Xuan Pang 《Chinese Journal of Polymer Science》 2026年第2期381-388,I0010,共9页
D-π hybridization is a key structural feature that may significantly affect the intrinsic electronic properties of metallopolymers.Herein,we present the electrosynthesis and memristive properties of metallopolymers u... D-π hybridization is a key structural feature that may significantly affect the intrinsic electronic properties of metallopolymers.Herein,we present the electrosynthesis and memristive properties of metallopolymers using the distinct d-π hybridization monomers R_(1) and R_(2).R_(1)(Ru^(Ⅱ)-(tpz)Cl_(2))features tetradentate ligands(tpz,6,6'-di(1H-pyrazol-1-yl)-2,2'-bipyridine)enforcing quasi-octahedral geometry;R_(2)(Ru^(Ⅱ)-(bpp)_(2))incorporates tridentate ligands(bpp,2,6-di(1H-pyrazol-1-yl)pyridine)inducing pronounced geometric distortion.The planar ligand(tpz)in R_(1) facilitates ordered molecular assembly through high conformational rigidity and extensive π-π stacking,resulting in increased molecular densities and enhanced morphological uniformity compared to R_(2) metallopolymers.Due to pyrazole’s weaker π-acceptance and strongerσ-donation compared to pyridine,R_(1) exhibits a 119 nm red-shift in metal-to-ligand charge transfer(MLCT)band and a 30 mV anodic shift in Ru^(+2/+3)redox potential relative to R_(2).Coupled with a reduced HOMO-LUMO gap,the uniform and ordered structure leads to a lower conductance decay constant in R_(1).Additionally,R_(2) metallopolymers exhibit superior memristive performance(characterized by lower switching voltage and higher switching ratio)via redox-induced aromatic transitions in axial ligands enhancing electronic delocalization.This work compares two metallopolymers with different ligand geometries,revealing how this difference leads to distinct charge transport and memristive behaviors. 展开更多
关键词 METALLOPOLYMERS D-πhybridization Charge transport ELECTROSYNTHESIS Resistive switching
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p-d Orbital hybridization enhanced MOF-on-MOF derived CoP/Fe_(2)P bimetallic phosphide electrocatalyst for stable water electrolysis
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作者 Enhong Liu Yunqiao Guo +4 位作者 Jiayang Zhao Haotian Zhang Yongjian Zhao Pengfei Yuan Rui Song 《Journal of Energy Chemistry》 2026年第1期198-207,I0005,共11页
The design and fabrication of ordered epitaxial MOF-on-MOF heterostructures as highly efficient electrocatalysts for water splitting is crucial but still challenging.In this study,a simple coordination-driven self-ass... The design and fabrication of ordered epitaxial MOF-on-MOF heterostructures as highly efficient electrocatalysts for water splitting is crucial but still challenging.In this study,a simple coordination-driven self-assembly method is used to fabricate controllable MOF-on-MOF multiscale heterostructures,where triangular host MOF(ZIF-67)nanosheets undergo in situ epitaxial growth to form uniform orthogonal vip MOF(CoFe PBA)nanosheets.Phosphorus(P)is further introduced in situ to fabricate CoP and Fe_(2)P heterostructured nanosheets(CoFe-P-NS),which exhibit excellent bifunctional electrocatalytic performance due to the enhancement of intrinsic electrocatalytic activity by p-d orbital hybridization.Specifically,the CoFe-P-NS requires low overpotential of 259 and 307 mV to reach 500 mA cm−2 for HER and OER,respectively.Remarkably,the assembled electrolysis cell maintained a large current density of 300 mA cm−2 for over 360 h with negligible voltage increase during alkaline seawater electrolysis.Experiments and theoretical calculations show that the synergistic catalytic activity of bimetallic phosphides arises from p-d orbital hybridization,where the CoP-P sites enhance HER by optimizing H*adsorption in the Volmer-Heyrovsky steps,while the Fe_(2)P-Fe sites accelerate OER by lowering the energy barrier of the rate-determining step from O*to OOH*.This study provides valuable insights into the design of a controllable MOF-on-MOF-based electrocatalyst toward alkaline seawater splitting. 展开更多
关键词 MOF-on-MOF heterostructures CoFe-P-NS Bifunctional electrocatalyst Seawater electrolysis p-d orbital hybridization
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Janus effect of inter-orbital hybridization on correlation strength of strongly correlated systems:A dynamical mean-field study
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作者 Jian Sun Yinchang Zhao Chao Lian 《Chinese Physics B》 2026年第2期529-537,共9页
In multi-orbital systems,the correlation strength is typically attributed to Coulomb interactions and Hund's couplings.However,this study demonstrates that on-site inter-orbital hybridization can also significant ... In multi-orbital systems,the correlation strength is typically attributed to Coulomb interactions and Hund's couplings.However,this study demonstrates that on-site inter-orbital hybridization can also significant influence the correlation strength of the system.We investigate the impact of on-site inter-orbital hybridization on the correlation strength of a two-orbital Hubbard model on a square lattice using the dynamical mean-field theory combined with Lanczos exact diagonalization.Our findings reveal a distinct Janus effect:on-site inter-orbital hybridization enhances correlation strength in the non-half-filled regime while suppresses it at half-filling.This dual role of on-site inter-orbital hybridization provides a fundamental mechanism for tuning the strength of correlations in multi-orbital systems. 展开更多
关键词 strongly correlated multi-orbital system inter-orbital hybridization dynamical mean-field theory
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Orbital hybridization states of carbon assisted robust inorganic-rich solid electrolyte interphase towards high initial coulombic efficiency hard carbon anode
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作者 Zeren Zhou Yixiang Zhang +4 位作者 Qixian Zhang Qiaoyan Lin Yong Shuai Zhijiang Wang Lishuang Fan 《Chinese Chemical Letters》 2026年第2期540-544,共5页
Hard carbon is a vital anode material for sodium-ion batteries;however,the nonuniform growth of solid electrolyte interphase(SEI)film substantially diminishes its initial coulombic efficiency(ICE)and cycle life.The ch... Hard carbon is a vital anode material for sodium-ion batteries;however,the nonuniform growth of solid electrolyte interphase(SEI)film substantially diminishes its initial coulombic efficiency(ICE)and cycle life.The chemical and morphological properties of surface highly influence the electrode/electrolyte interfacial reactions.In this study,we have tuned orbital hybridization states forming an interface enriched with sp^(2) hybridized carbon(sp^(2)-C),which decreases the binding energy to solvent molecules and inhibits excessive solvent decomposition during SEI formation.Benefiting from successfully constructed inorganic-rich SEI,the ICE increased to 91%and sodium storage capacity reached 346 mAh/g.Besides,the capacity retention rate was 90.7%after 700 cycles at 1 A/g higher than pristine electrode(83.8%). 展开更多
关键词 Sodium-ion battery Hard carbon Orbital hybridization Solid electrolyte interphase Initial Coulombic efficiency
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Enhancing energy storage of nickel-zinc battery through comprehensive d-p orbital hybridization regulation
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作者 Guochang Li Xiaokang Fu +5 位作者 Yifan Tang Shuangxing Cui Yuhui Wang Yitao Xu Yaoping Hu Lei Han 《Journal of Energy Chemistry》 2026年第1期945-954,I0020,共11页
Developing high-performance Ni cathodes and understanding the relationship between electron states of Ni 3d orbital and energy storage mechanism from an atomic-orbital perspective are crucial yet challenging for alkal... Developing high-performance Ni cathodes and understanding the relationship between electron states of Ni 3d orbital and energy storage mechanism from an atomic-orbital perspective are crucial yet challenging for alkaline nickel-zinc batteries.Herein,we innovatively design P-NiMoO_(4)/NiSe_(2)heterostructures with rich oxygen vacancy via a selective component segregation.The P substitution in NiMoO_(4)activate Ni atoms,leading to the spin-state transition of Ni-3d orbitals from high-spin to low-spin,which promote the uniform and rapid nucleation of NiSe_(2)on the surface of NiMoO_(4)during subsequent selenization process.After selenization,the in situ formed P-NiMoO_(4)/NiSe_(2)heterostructures exhibits continuous increased unoccupied states of Ni 3d-orbitals and higher Ni valence state.The synergistic effect of P doping and selenization modulate the d-band center(ɛd)level of Ni 3d,thereby promoting d-p orbital hybridization between Ni 3d and O 2p of OH−as well as OH−adsorption ability.Consequently,the P-NiMoO_(4)/NiSe_(2)exhibits a top-level specific capacity of 390.7 mA h g^(−1)at 1 A g^(−1),2.8-fold higher than that of pristine NiMoO_(4),accompanied by remarkable rate capability and structural stability.Moreover,the assembled pouch-type battery and flexible devices demonstrate the practical application potential.This work provides fundamental insights into orbital-level engineering of battery materials for enhanced redox kinetics and cycling stability. 展开更多
关键词 P-NiMoO_(4)/NiSe_(2) Ni 3d-orbital Nickel-Zinc battery d-p orbital hybridization
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Tailoring sp^(3) /sp^(2) carbon hybridization to balance the trade-off between active site and conduction for rapid Li-ion intercalation chemistry in dual-carbon batteries
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作者 Xiaoqi Gong Jing Li +7 位作者 Yining Lao Fujie Liu Yaozheng Pan Linfeng Zhong Cheng Wang Yanyu Gao Cong Liu Dingshan Yu 《Journal of Energy Chemistry》 2026年第3期936-945,共10页
Dual-carbon batteries(DCBs)have emerged as an appealing candidate for large-scale energy storage,yet the common trade-off between active sites and electronic conduction in carbon materials engenders a main challenge t... Dual-carbon batteries(DCBs)have emerged as an appealing candidate for large-scale energy storage,yet the common trade-off between active sites and electronic conduction in carbon materials engenders a main challenge towards efficient DCBs.Here,we introduce a heteroatom-doped sp^(3) /sp^(2) hybridized carbon fiber membrane(cPAN-Gr)as a universal binder-free active electrode that effectively overcomes this trade-off,enabling efficient Li-ion intercalation chemistry for advanced DCBs.By strategically tuning the sp^(3) and sp^(2) carbon hybridization,the interlayer interaction,geometric and electronic structures of c PANGr are simultaneously optimized,which facilitates rapid Li-ion adsorption,smooth interlayer transport,and efficient electron transport by maximizing the synergy between sp^(2) -and sp^(3) -hybridized carbon.This,coupled with a 3D porous network structure,endows the c PAN-Gr with superior Li-ion storage capability and fast reaction kinetics.Therefore,the c PAN-Gr electrode delivers a high reversible capacity of 345 m A h g^(-1),excellent rate capability(50 C),and an ultralong cycle life over 10,000 cycles,outperforming other reported carbon-based electrodes.Moreover,the constructed DCB exhibits a large specific capacity of 135 m A h g^(-1),long-term cyclability over 500 cycles,and a remarkable energy density of 524.4 Wh kg^(-1).The c PAN-Gr electrode can also be expanded to construct a LiFePO_(4)//cPAN-Gr full battery.Combined theoretical and experimental studies reveal the crucial role of an optimized sp^(3) /sp^(2) ratio(79%)with topological defects and pyridine/pyrrolic N sites on the performance enhancement.This work offers new insights into the design of advanced carbon materials for DCBs and beyond. 展开更多
关键词 Dual carbon batteries Carbon fiber membrane electrodes Sp^(3)/sp^(2)carbon hybridization Topological defects Li-ion intercalation chemistry
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Hybridization Gap and Edge States in Strained-Layer InAs/In_(0.5)Ga_(0.5)Sb Quantum Spin Hall Insulator
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作者 Wenfeng Zhang Peizhe Jia +4 位作者 Wen-kai Lou Xinghao Wang Shaokui Su Kai Chang Rui-Rui Du 《Chinese Physics Letters》 2026年第1期179-183,共5页
The hybridization gap in strained-layer InAs/In_(x)Ga_(1−x) Sb quantum spin Hall insulators(QSHIs)is significantly enhanced compared to binary InAs/GaSb QSHI structures,where the typical indium composition,x,ranges be... The hybridization gap in strained-layer InAs/In_(x)Ga_(1−x) Sb quantum spin Hall insulators(QSHIs)is significantly enhanced compared to binary InAs/GaSb QSHI structures,where the typical indium composition,x,ranges between 0.2 and 0.4.This enhancement prompts a critical question:to what extent can quantum wells(QWs)be strained while still preserving the fundamental QSHI phase?In this study,we demonstrate the controlled molecular beam epitaxial growth of highly strained-layer QWs with an indium composition of x=0.5.These structures possess a substantial compressive strain within the In_(0.5)Ga_(0.5)Sb QW.Detailed crystal structure analyses confirm the exceptional quality of the resulting epitaxial films,indicating coherent lattice structures and the absence of visible dislocations.Transport measurements further reveal that the QSHI phase in InAs/In_(0.5)Ga_(0.5)Sb QWs is robust and protected by time-reversal symmetry.Notably,the edge states in these systems exhibit giant magnetoresistance when subjected to a modest perpendicular magnetic field.This behavior is in agreement with the𝑍2 topological property predicted by the Bernevig–Hughes–Zhang model,confirming the preservation of topologically protected edge transport in the presence of enhanced bulk strain. 展开更多
关键词 strained layer quantum spin hall insulators qshis InAs Ga Sb edge states quantum wells qws be controlled molecular beam epitaxial growth hybridization gap quantum spin Hall insulator
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Inverse design framework of hybrid honeycomb structure with high impact resistance based on active learning 被引量:1
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作者 Xingyu Shen Ke Yan +5 位作者 Difeng Zhu Hao Wu Shijun Luo Shaobo Qi Mengqi Yuan Xinming Qian 《Defence Technology(防务技术)》 2026年第1期407-421,共15页
In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honey... In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honeycomb cells,was created by constructing arrangement matrices to achieve structural lightweight.The machine learning(ML)framework consisted of a neural network(NN)forward regression model for predicting impact resistance and a multi-objective optimization algorithm for generating high-performance designs.The surrogate of the local design space was initially realized by establishing the NN in the small sample dataset,and the active learning strategy was used to continuously extended the local optimal design until the model converged in the global space.The results indicated that the active learning strategy significantly improved the inference capability of the NN model in unknown design domains.By guiding the iteration direction of the optimization algorithm,lightweight designs with high impact resistance were identified.The energy absorption capacity of the optimal design reached 94.98%of the EARE honeycomb,while the initial peak stress and mass decreased by 28.85%and 19.91%,respectively.Furthermore,Shapley Additive Explanations(SHAP)for global explanation of the NN indicated a strong correlation between the arrangement mode of HCS and its impact resistance.By reducing the stiffness of the cells at the top boundary of the structure,the initial impact damage sustained by the structure can be significantly improved.Overall,this study proposed a general lightweight design method for array structures under impact loads,which is beneficial for the widespread application of honeycomb-based protective structures. 展开更多
关键词 Re-entrant honeycomb hybrid structures Inverse design Impact resistance LIGHTWEIGHT
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Hydrogen-Bonded Interfacial Super-Assembly of Spherical Carbon Superstructures for High-Performance Zinc Hybrid Capacitors 被引量:1
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作者 Yang Qin Chengmin Hu +4 位作者 Qi Huang Yaokang Lv Ziyang Song Lihua Gan Mingxian Liu 《Nano-Micro Letters》 2026年第2期88-104,共17页
Carbon superstructures with multiscale hierarchies and functional attributes represent an appealing cathode candidate for zinc hybrid capacitors,but their tailor-made design to optimize the capacitive activity remains... Carbon superstructures with multiscale hierarchies and functional attributes represent an appealing cathode candidate for zinc hybrid capacitors,but their tailor-made design to optimize the capacitive activity remains a confusing topic.Here we develop a hydrogen-bond-oriented interfacial super-assembly strategy to custom-tailor nanosheet-intertwined spherical carbon superstructures(SCSs)for Zn-ion storage with double-high capacitive activity and durability.Tetrachlorobenzoquinone(H-bond acceptor)and dimethylbenzidine(H-bond donator)can interact to form organic nanosheet modules,which are sequentially assembled,orientally compacted and densified into well-orchestrated superstructures through multiple H-bonds(N-H···O).Featured with rich surface-active heterodiatomic motifs,more exposed nanoporous channels,and successive charge migration paths,SCSs cathode promises high accessibility of built-in zincophilic sites and rapid ion diffusion with low energy barriers(3.3Ωs-0.5).Consequently,the assembled Zn||SCSs capacitor harvests all-round improvement in Zn-ion storage metrics,including high energy density(166 Wh kg-1),high-rate performance(172 m Ah g^(-1)at 20 A g^(-1)),and long-lasting cycling lifespan(95.5%capacity retention after 500,000 cycles).An opposite chargecarrier storage mechanism is rationalized for SCSs cathode to maximize spatial capacitive charge storage,involving high-kinetics physical Zn^(2+)/CF_(3)SO_(3)-adsorption and chemical Zn^(2+)redox with carbonyl/pyridine groups.This work gives insights into H-bond-guided interfacial superassembly design of superstructural carbons toward advanced energy storage. 展开更多
关键词 Hydrogen bonds Interfacial super-assembly Spherical carbon superstructures Zn hybrid capacitors Energy storage
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Enhancing p-d hybridization via synergistic regulation of spatial and energetic orbital overlaps in Ba-doped LaNiO_(3)epitaxial films for oxygen evolution activity
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作者 Yingjia Li Xiang Xu +11 位作者 Xiaoyu Qiu Jie Tu Zijian Chen Yujie Zhou Zhao Guan Youyuan Zhang Wen-Yi Tong Shaohui Xu Ni Zhong Pinghua Xiang Chun-Gang Duan Binbin Chen 《Chinese Physics B》 2025年第5期157-163,共7页
The hybridization between oxygen 2p and transition-metal 3d states largely determines the electronic structure near the Fermi level and related functionalities of transition-metal oxides(TMOs).Considerable efforts hav... The hybridization between oxygen 2p and transition-metal 3d states largely determines the electronic structure near the Fermi level and related functionalities of transition-metal oxides(TMOs).Considerable efforts have been made to manipulate the p-d hybridization in TMOs by tailoring the spatial orbital overlap via structural engineering.Here,we demonstrate enhanced p-d hybridization in Ba^(2+)-doped LaNiO_(3)epitaxial films by simultaneously modifying both the spatial and energetic overlaps between the O-2p and Ni-3d orbitals.Combining x-ray absorption spectroscopy and firstprinciples calculations,we reveal that the enhanced hybridization stems from the synergistic effects of a reduced chargetransfer energy due to hole injection and an increased spatial orbital overlap due to straightening of Ni-O-Ni bonds.We further show that the enhanced p-d hybridization can be utilized to promote the oxygen evolution activity of LaNiO_(3).This work sheds new insights into the fine-tuning of the electronic structures of TMOs for enhanced functionalities. 展开更多
关键词 transition-metal oxide doping p-d hybridization orbital overlap oxygen evolution activity
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Dynamic tuning of d-p orbital hybridization during sulfur vacancy evolution in Co_(9)S_(8)toward efficient overall water splitting
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作者 Weilong Liu Jipeng Dong +3 位作者 Luyao Zhang Ning Li Yangqin Gao Lei Ge 《Chinese Journal of Structural Chemistry》 2025年第9期49-58,共10页
Defect engineering significantly enhances electrocatalytic performance by modulating electronic structures and interfacial coordination,yet the dynamic correlation between defect evolution and catalytic activity durin... Defect engineering significantly enhances electrocatalytic performance by modulating electronic structures and interfacial coordination,yet the dynamic correlation between defect evolution and catalytic activity during reactions remains unclear.Herein,density functional theory(DFT)calculations first reveal the modulation of sulfur vacancy concentrations on Co_(9)S_(8)electronic structures,predicting that optimized vacancy concentrations enable highly efficient electrocatalytic water splitting.Experimentally fabricated Co_(9)S_(8)with appropriate sulfur vacancies exhibits superior bifunctional activity(HER:164 mV@_(η10);OER:297 mV@_(η100)).The MCS-assembled overall water splitting system demonstrates stable operation at 1.57 V(10 mA cm^(−2))for over 60 h.Experimental studies illustrate that sulfur vacancies preferentially adsorb OH^(−)during reactions,inducing the formation of CoOOH active phases.DFT analysis further indicates that OH^(−)adsorption weakens d-p orbital hybridization,optimizing hydrogen/oxygen intermediate adsorption energy barriers and ultimately enhancing catalytic performance.This work establishes novel paradigms for systematic development of catalysts through synergistic analysis of defect dynamics,electronic structures and catalytic performance. 展开更多
关键词 d-band center Overall water splitting Sulfur vacancy evolution d-p hybridization
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Ecophysiological transition mediated by hybridization in a hybrid pine species complex
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作者 Zhi-Chao Li Chao-Qun Xu +6 位作者 Wei Zhao Shuai Nie Yu-Tao Bao Hui Liu Zhen Xing Jian-Feng Mao Xiao-Ru Wang 《Plant Diversity》 2025年第4期604-619,共16页
Hybridization is a driving force in ecological transitions and speciation,yet direct evidence linking it to adaptive differentiation in natural systems remains limited.This study evaluates the role of hybridization in... Hybridization is a driving force in ecological transitions and speciation,yet direct evidence linking it to adaptive differentiation in natural systems remains limited.This study evaluates the role of hybridization in the speciation of Pinus densata,a keystone forest species on the southeastern Tibetan Plateau.By creating artificialinterspecificF1s and a long-term common garden experiment on the plateau,we provide in situ assessments on 44 growth and physiological traits across four seasons,along with RNA sequencing.We found significantphenotypic divergence between P.densata and its putative parental species P.tabuliformis and P.yunnanensis,with P.densata demonstrating superior growth and dynamic balance between photosynthesis and photoprotection.The F1s closely resembled P.densata in most traits.Gene expression revealed 19%–10%of 34,000 examined genes as differentially expressed in P.densata and F1s relative to mid-parent expression values.Both additive(4%)and non-additive gene actions(5%–6%in F1s,10%–12%in P.densata)were common,while transgressive expression occurred more frequently in the stabilized natural hybrids,illustrating transcriptomic reprogramming brought by hybridization and further divergence by natural selection.We provide compelling evidence for hybridization-derived phenotypic divergence at both physiological and gene expression levels that could have contributed to the adaptation of P.densata to high plateau habitat where both parental species have low fitness.The altered physiology and gene expression in hybrids serve both as a substrate for novel ecological adaptation and as a mechanism for the initiation of reproductive isolation. 展开更多
关键词 Ecological divergence Gene action Homoploid hybrid speciation Physiological traits RNA-SEQ Tibetan plateau
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Enhancing d-p orbital hybridization through oxygen vacancies boosting capacity and kinetics of layered double hydroxides for durable aqueous magnesium-ion batteries
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作者 Weizhi Kou Zhitang Fang +9 位作者 Yangyang Sui Yubo Yang Cong Liu Chenyu Yang Congyan Jiang Gang Yang Luming Peng Xuefeng Guo Weiping Ding Wenhua Hou 《Journal of Energy Chemistry》 2025年第8期558-569,共12页
Layered double hydroxides(LDHs)are potential cathode materials for aqueous magnesium-ion batteries(AMIBs).However,the low capacity and sluggish kinetics significantly limit their electrochemical performance in AMIBs.H... Layered double hydroxides(LDHs)are potential cathode materials for aqueous magnesium-ion batteries(AMIBs).However,the low capacity and sluggish kinetics significantly limit their electrochemical performance in AMIBs.Herein,we find that oxygen vacancies can significantly boost the capacity,electrochemical kinetics,and structure stability of LDHs.The corresponding structure-performance relationship and energy storage mechanism are elaborated through exhaustive in/ex-situ experimental characterizations and density functional theory(DFT)calculations.Specially,in-situ Raman and DFT calculations reveal that oxygen vacancies elevate orbital energy of O 2p and electron density of O atoms,thereby enhancing the orbital hybridization of O 2p with Ni/Co 3d.This facilitates electron transfer between O and adjacent Ni/Co atoms and improves the covalency of Ni–O and Co–O bonds,which activates Ni/Co atoms to release more capacity and stabilizes the Ov-NiCo-LDH structure.Moreover,the distribution of relaxation times(DRT)and molecular dynamics(MD)simulations disclose that the enhanced d-p orbital hybridization optimizes the electronic structure of Ov-NiCo-LDH,which distinctly reduces the diffusion energy barriers of Mg^(2+)and improves the charge transfer kinetics of Ov-NiCo-LDH.Consequently,the assembled Ov-NiCo-LDH//active carbon(AC)and Ov-NiCo-LDH//perylenediimide(PTCDI)AMIBs can both deliver high specific discharge capacity(182.7 and 59.4 mAh g^(−1)at 0.5 A g^(−1),respectively)and long-term cycling stability(85.4%and 89.0%of capacity retentions after 2500 and 2400 cycles at 1.0 A g^(−1),respectively).In addition,the practical prospects for Ov-NiCo-LDH-based AMIBs have been demonstrated in different application scenarios.This work not only provides an effective strategy for obtaining high-performance cathodes of AMIBs,but also fundamentally elucidates the inherent mechanisms. 展开更多
关键词 Layered double hydroxide Aqueous magnesium-ion battery Oxygen vacancy d-p orbital hybridization Electrochemical kinetics
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High-spin configuration of asymmetric CoN_(1)C_(2)coordination for boosting d-p orbital hybridization in Fenton-like reactions
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作者 Qian Bai Juanjuan Qi +8 位作者 Rongzhe Zhang Zhiyuan Chen Zihao Wei Zhiyi Sun Ziwei Deng Xudong Yang Qiangwei Li Wenxing Chen Lidong Wang 《Chinese Journal of Catalysis》 2025年第6期334-346,共13页
Asymmetric single-atom catalysts(ASACs)have attracted much attention owing to their excellent catalytic properties.However,the relationship between asymmetric coordination and the spin states of metal sites remains un... Asymmetric single-atom catalysts(ASACs)have attracted much attention owing to their excellent catalytic properties.However,the relationship between asymmetric coordination and the spin states of metal sites remains unclear.Additionally,the modulation of reactive oxygen species in Fenton-like reactions remains challenging.Herein,a novel strategy is reported for the rational design of highly loaded Co ASACs(CoN_(1)C_(2)/C_(2)N)immobilized on three-dimensional flower-like C_(2)N using an in situ-generated carbon defect method.In particular,the asymmetrically tricoordinated CoN_(1)C_(2)/C_(2)N exhibited excellent catalytic activity for sulfachloropyridazine degradation,with a turnover frequency of 36.8 min^(–1).Experimental results and theoretical calculations revealed that the electron spin state of the Co-active sites was transferred from the low-spin configuration(t_(2g)^(6)e_(g)^(1))to the high-spin configuration(t_(2g)^(5)e_(g)^(2))owing to asymmetric coordination.The high-spin Co 3d orbital in CoN_(1)C_(2)/C_(2)N possessed more unpaired electrons and therefore,had a strong ability to gain electrons from the O 2p orbitals of HSO_(5)^(–),boosting d-p orbital hybridization.More importantly,the spin-electron filling in theσ^(*)orbital of high-spin Co 3d−O 2p accelerated the desorption of^(*)SO_(5)•^(−),which acted as a rate-limiting step in the reaction,thus facilitating more^(1)O_(2)generation.This study provides an innovative synthetic route for practical ASACs and clarifies the critical relationship between structure and spin state,paving the way for advancements in environmental remediation and energy conversion applications. 展开更多
关键词 Asymmetric coordination C_(2)N High-spin configuration d-p orbital hybridization Fenton-like reaction
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Genomic evidence of hybridization between two species of Penduline Tits reveals postzygotic reproductive isolation
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作者 Hui Wang Mansour Aliabadian +1 位作者 Zhengwang Zhang De Chen 《Avian Research》 2025年第3期517-518,共2页
The biological species concept defines species as groups of actually or potentially interbreeding natural populations that are reproductively isolated from other such groups(Mayr,1942).Reproductive isolation,whether p... The biological species concept defines species as groups of actually or potentially interbreeding natural populations that are reproductively isolated from other such groups(Mayr,1942).Reproductive isolation,whether prezygotic or postzygotic,plays a central role in maintaining species boundaries.However,hybridization between closely related taxa can challenge these boundaries and provide insight into speciation,gene flow,and evolutionary processes(Coyne and Orr,2004). 展开更多
关键词 postzygotic reproductive isolation closely related taxa hybridization genomic evidence reproductive isolation SPECIATION biological species concept gene flow
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Editorial on the research topic:AI-driven fluorescence in situ hybridization test for early cancer detection
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作者 Simon James Fong Jia-Hui Yu Li Bao 《Medical Data Mining》 2025年第1期1-3,共3页
Introduction Early cancer detection represents a critical evolution in healthcare,addressing a significant pain point in cancer treatment:the tendency for diagnoses to occur at advanced stages.Traditionally,many cance... Introduction Early cancer detection represents a critical evolution in healthcare,addressing a significant pain point in cancer treatment:the tendency for diagnoses to occur at advanced stages.Traditionally,many cancers are not identified until they have progressed to late stages,where treatment options become limited,less effective,and more costly.This late detection results in poorer prognoses,higher mortality rates,and increased healthcare costs.Without early detection tools like Fluorescence In Situ Hybridization(FISH),these challenges persist,leaving patients with fewer opportunities for successful outcomes. 展开更多
关键词 cancer detection early cancer detection ai driven fluorescence situ hybridization fluorescence situ hybri FISH healthcare costs mortality rates
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Engineering d-p hybridization in Ni-B_(x) cocatalysts for superior photocatalytic H2 evolution efficiency
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作者 Junjiang Zhu Xiaofang Li 《Chinese Journal of Catalysis》 2025年第5期1-3,共3页
Photocatalytic hydrogen(H_(2))production using solar energy is a cutting-edge green technology that holds great potential for addressing the urgent fuel and environmental crises[1–3].To achieve high-efficiency H_(2) ... Photocatalytic hydrogen(H_(2))production using solar energy is a cutting-edge green technology that holds great potential for addressing the urgent fuel and environmental crises[1–3].To achieve high-efficiency H_(2) production,cocatalyst modification is commonly employed to provide active sites for the hydrogen evolution reaction(HER)[4,5].In this context,the kinetics of hydrogen adsorption and desorption at these active sites play a crucial role in enhancing overall photocatalytic H_(2) production efficiency.However,the H adsorption/desorption kinetics often exhibit a trade-off,presenting a significant challenge in achieving an optimal equilibrium between Hads and Hdes in many cocatalyst systems.Therefore,fine-tuning the active sites to optimize the H_(2) evolution kinetics is essential for improving photocatalytic activity[6]. 展开更多
关键词 solar energy photocatalytic h evolution hydrogen adsorption ni b x cocatalysts active sites d p hybridization hydrogen desorption ENGINEERING
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Silver chloride/chitosan‑based chloramine nanohybrid with excellent antibacterial activity:Design and structure characterization as well as Ag^(+)‑Cl^(-)synergistic antibacterial effect
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作者 ZHANG Xinzhe XU Jiarong +4 位作者 GAO Mochou LIU Yage ZHAO Yanbao CUI Jingzeng ZOU Xueyan 《无机化学学报》 北大核心 2026年第2期428-438,共11页
Chitosan(CTS)was grafted onto the surface of amino‑functionalized silver chloride silicon dioxide(AgCl@SiO_(2)‑NH_(2))cores to obtain AgCl@SiO_(2)/CTS hybrid nanoparticles.The as‑obtained AgCl@SiO_(2)/CTS nanoparticle... Chitosan(CTS)was grafted onto the surface of amino‑functionalized silver chloride silicon dioxide(AgCl@SiO_(2)‑NH_(2))cores to obtain AgCl@SiO_(2)/CTS hybrid nanoparticles.The as‑obtained AgCl@SiO_(2)/CTS nanoparticles were chlorinated by NaClO solution to get AgCl@SiO_(2)/CTS‑based chloramine nano‑hybrid materials,denoted as AgCl@SiO_(2)/CTS‑Cl.A transmission electron microscope was used to observe the morphology of the as‑prepared samples AgCl@SiO_(2)/CTS and AgCl@SiO_(2)/CTS‑Cl.At the same time,an X‑ray diffractometer and an infrared spectroscope were utilized to characterize their crystal and chemical structures.Besides,ζpotentials were measured to elucidate the surface modification of AgCl nanoparticles by—NH_(2),the antibacterial mechanism of AgCl@SiO_(2)/CTS‑Cl was investigated by scanning electron microscopy,and Escherichia coli(E.coli)and Staphylococcus aureus(S.aureus)were used as the to‑be‑tested strains to evaluate the antimicrobial activity of samples AgCl@SiO_(2)/CTS and AgCl@SiO_(2)/CTS‑Cl.Findings demonstrate that sample AgCl@SiO_(2)/CTS exhibits a chain‑like structure ascribed to the interaction between—NH_(2),and each AgCl@SiO_(2)/CTS hybrid nanoparticle contains several AgCl cores.In the meantime,sample AgCl@SiO_(2)/CTS‑Cl exhibits excellent antibacterial activity against E.coli and S.aureus,which is attributed to the synergistic antibacterial effect of Ag^(+)and Cl^(-).Sample AgCl@SiO_(2)/CTS‑Cl with a dosage of 640.00μg·mL^(-1) could completely kill the two kinds of tested bacteria in 12 h of incubation;it retains a high antibacterial efficiency even after 10 cycles of antibacterial tests. 展开更多
关键词 AgCl@SiO_(2)/CTS‑Cl hybrid nanoparticle synergistic effect antibacterial activity
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