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Single photon transport properties in coupled cavity arrays nonlocally coupled to a two-level atom in the presence of dissipation 被引量:2
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作者 海莲 谭磊 +2 位作者 冯金山 徐文斌 王彬 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第2期257-261,共5页
We discuss the effects of dissipation on the behavior of single photon transport in a system of coupled cavity arrays, with the two nearest cavities nonlocally coupled to a two-level atom. The single photon transmissi... We discuss the effects of dissipation on the behavior of single photon transport in a system of coupled cavity arrays, with the two nearest cavities nonlocally coupled to a two-level atom. The single photon transmission amplitude is solved exactly by employing the quasi-boson picture. We investigate two different situations of local and nonlocal couplings, respectively. Comparing the dissipative case with the nondissipative one reveals that the dissipation of the system increases the middle dip and lowers the peak of the single photon transmission amplitudes, broadening the line width of the transport spectrum. It should be noted that the influence of the cavity dissipation to the single photon transport spectrum is asymmet- ric. By comparing the nonlocal coupling with the local one, one can find that the enhancement of the middle dip of single photon transmission amplitudes is mostly caused by the atom dissipation and that the reduced peak is mainly caused by the cavity dissipation, no matter whether it is a nonlocal or local coupling case. Whereas in the nonlocal coupling case, when the coupling strength gets stronger, the cavity dissipation has a greater effect on the single photon transport spectrum and the atom dissipation affection becomes weak, so it can be ignored. 展开更多
关键词 single photon transport dissipative coupled cavity arrays dissipative two-level atom local and nonlocal couplings
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Vacuum induced transparency and slow light phenomena in a two-level atomic ensemble controlled by a cavity 被引量:1
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作者 郭玉杰 聂文杰 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第9期240-244,共5页
We study the optical properties of a two-level atomic ensemble controlled by a high-finesse cavity. Even though the cavity is initially in the vacuum state in the absence of external driving, the probe response of the... We study the optical properties of a two-level atomic ensemble controlled by a high-finesse cavity. Even though the cavity is initially in the vacuum state in the absence of external driving, the probe response of the atomic ensemble can be dramatically modified. When the collectively enhanced atom–cavity coupling is strong enough and the cavity decay rate is much smaller than the atomic damping rate, an electromagnetically induced transparency-like coherent phenomenon emerges with a dip absorption for the response of the two-level atoms in the cavity without driving, and thus is called vacuum induced transparency. We also show the slow light with very low group velocity in such an atomic ensemble. 展开更多
关键词 electromagnetically induced transparency two-level atomic ensemble VACUUM slow light
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Effects of an applied low frequency field on the dynamics of a two-level atom interacting with a single-mode field
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作者 徐勋卫 刘念华 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第1期343-349,共7页
The effects of an applied low frequency field on the dynamics of a two-level atom interacting with a single-mode field are investigated. It is shown that the time evolution of the atomic population is mainly controlle... The effects of an applied low frequency field on the dynamics of a two-level atom interacting with a single-mode field are investigated. It is shown that the time evolution of the atomic population is mainly controlled by the coupling constants and the frequency of the low frequency field, which leads to a low frequency modulation function for the time evolution of the upper state population. The amplitude of the modulation function becomes larger as the coupling constants increase. The frequency of the modulation function is proportional to the frequency of the low frequency field, and decreases with increasing coupling constant. 展开更多
关键词 two-level atom low frequency field single-mode field
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The breaking point between fast-and slow-light in a degenerate two-level atomic system
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作者 李路明 胡振燕 +1 位作者 罗斌 郭弘 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第6期325-329,共5页
This paper investigates the breaking point between fast- and slow-light in a degenerate two-level atomic system, where fast-light can be converted to slow-light arbitrarily on a single transition line by adjusting the... This paper investigates the breaking point between fast- and slow-light in a degenerate two-level atomic system, where fast-light can be converted to slow-light arbitrarily on a single transition line by adjusting the strength of the pumping field. An equivalent incoherent pumping rate is introduced in this simplified theoretical model which exploits the dependence of this feature. The experimental observation is presented as evidence of the breaking point where the injected power is about 0.08 mW. 展开更多
关键词 degenerate two-level atomic system breaking point group velocity
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The entanglement evolution of two coupling two-level atoms interacting with a single-mode vacuum field in multiphoton Tavis-Cummings model
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作者 Lu Daoming 《Engineering Sciences》 EI 2012年第1期80-85,共6页
Using multipohton Tavis-Cummings model,the entanglement evolution of two coupling two-level atoms in Bell states interacting with a single-mode vacuum field is investigated by using negativity.The influences of coupli... Using multipohton Tavis-Cummings model,the entanglement evolution of two coupling two-level atoms in Bell states interacting with a single-mode vacuum field is investigated by using negativity.The influences of coupling constants between atoms,the atomic initial states and the photon number of transition on the entanglement evolution of two coupling two-level atoms are discussed.The results obtained using the numerical method show that the entanglement of two atoms is related with coupling constants between atoms,the atomic initial states and the photon number of transition.The two-atom entanglement state will forever stay in the maximum entanglement state when the initial state is β11〉.When the initial state of two atoms is β01〉,the entanglement of two atoms displays periodic oscillation behavior.And its oscillation period decreases with increasing of coupling constant between atoms or the photon number of transition.On the other hand,when the initial state is β00〉 or β10〉,the entanglement of two atoms displays quasiperiodic oscillation behavior and its oscillation period decreases with increasing of coupling constant between atoms or the photon number of transition. 展开更多
关键词 quantum optics single-mode vacuum field two coupling two-level atoms muhiphoton ENTANGLEMENT
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Quantum Fisher Information of Two-Level Atomic System under the Influence of Thermal Field, Intrinsic Decoherence, Stark Effect and Kerr-Like Medium
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作者 S. Jamal Anwar M. Ramzan +1 位作者 M. Usman M. Khalid Khan 《Journal of Quantum Information Science》 2021年第1期24-41,共18页
In this paper, we have proposed the numerical calculations to study the quantum entanglement (QE) of moving two-level atom interacting with a coherent and the thermal field influenced by intrinsic decoherence (ID), Ke... In this paper, we have proposed the numerical calculations to study the quantum entanglement (QE) of moving two-level atom interacting with a coherent and the thermal field influenced by intrinsic decoherence (ID), Kerr medium (non-linear) and the Stark effect. The wave function of the complete system interacting with a coherent and the thermal field is calculated numerically affected by ID, Kerr (non-linear) and Stark effects. It has been seen that the Stark, Kerr, ID and the thermal environment have a significant effect during the time evolution of the quantum system. Quantum Fisher information (QFI) and QE decrease as the value of the ID parameter is increased in the thermal field without the atomic movement. It is seen that QFI and von Neumann entropy (VNE) show an opposite and periodic response in the presence of atomic motion. The non-linear Kerr medium has a more prominent and significant effect on the QE as the value of the Kerr parameter is decreased. At smaller values of the non-linear Kerr parameter, the VNE increases, however, QFI decreases, so QFI and VNE have a monotonic connection with one another. As the value of the Kerr parameter is increased, the effect of non-linear Kerr doesn’t stay critical on both QFI and QE. However, a periodic response of QE is seen because of the atomic movement which becomes modest under natural impacts. Moreover, it has been seen that QFI and QE rot soon at the smaller values of the Stark parameter. However, as the value of the Stark parameter is increased, the QFI and QE show periodic response even when the atomic movement is absent. 展开更多
关键词 Quantum Fisher Information (QFI) Intrinsic Decoherence (ID) Thermal Environment two-level atomic System Kerr and Stark Effect
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Selective reflection combined with Fabry-Perot effects from two-level atoms confined between two dielectric walls 被引量:6
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作者 李院院 周瑜 张贵忠 《Chinese Physics B》 SCIE EI CAS CSCD 2006年第5期985-991,共7页
The coefficient of selective reflection at oblique incidence from two-level atoms confined between two dielectric walls is calculated in this paper. It is found to be related to the transient behaviour of atoms after ... The coefficient of selective reflection at oblique incidence from two-level atoms confined between two dielectric walls is calculated in this paper. It is found to be related to the transient behaviour of atoms after colliding with the wall and the distribution of the field inside the vapour corresponds to L/λ, with L the thickness of the film and λ the incident wavelength. We find that the sub-Doppler structure is manifest both for normal incidence and small angle oblique incidence, It is feasible to detect the real part of selective reflection in several cases that have not been achieved before. 展开更多
关键词 selective reflection confined atomic vapour film sub-Doppler structure
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Preparation and control of atomic optimal entropy squeezing states for a moving two-level atom under control of the two-mode squeezing vacuum fields 被引量:2
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作者 周并举 刘一曼 +1 位作者 赵明卓 刘小娟 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第12期278-284,共7页
From the viewpoint of quantum information, this paper studies preparation and control of atomic optimal entropy squeezing states (AOESS) for a moving two-level atom under control of the two-mode squeezing vacuum fie... From the viewpoint of quantum information, this paper studies preparation and control of atomic optimal entropy squeezing states (AOESS) for a moving two-level atom under control of the two-mode squeezing vacuum fields. Necessary conditions of preparation of the AOESS are analysed, and numerical verification of the AOESS is finished. It shows that the AOESS can be prepared by controlling the time of the atom interaction with the field, cutting the entanglement between the atom and field, and adjusting squeezing factor of the field. An atomic optimal entropy squeezing sudden generation in different components can alternately be realized by controlling the field-mode structure parameter. 展开更多
关键词 atomic optimal entropy squeezing state squeezing factor of the field the field-mode structure parameter
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Entanglement Quantifier Based on Atomic Wehrl Entropy for Non-Linear Interaction between a Single Two-Level Atom and SU(1,1) Quantum System 被引量:1
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作者 Sayed Abdel-Khalek Manal Al-Quthami Mohamed M. A. Ahmed 《Journal of Quantum Information Science》 2014年第1期44-53,共10页
In this paper, we study the dynamics of the atomic inversion, scaled atomic Wehrl entropy and marginal atomic Wehrl density for a single two-level atom interacting with SU(1,1) quantum system. We obtain the expectatio... In this paper, we study the dynamics of the atomic inversion, scaled atomic Wehrl entropy and marginal atomic Wehrl density for a single two-level atom interacting with SU(1,1) quantum system. We obtain the expectation values of the atomic variables using specific initial conditions. We examine the effects of different parameters on the scaled atomic Wehrl entropy and marginal atomic Wehrl density. We observe an interesting monotonic relation between the different physical quantities for different values of the initial atomic position and detuning parameter. 展开更多
关键词 Scaled atomIC Wehrl Entropy atomIC Q-FUNCTION atomIC Inversion
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Entanglement of two-level atoms' quantum states in a strong thermal radiation field
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作者 ZHANG Deng-yu XIE Li-jun +2 位作者 TANG Shi-qing ZHAN Xiao-gui GAO Feng 《商丘师范学院学报》 CAS 2008年第12期62-65,共4页
The two-level atom is described by Pauli sign and environment is described by infinite harmonic particle thermal reservoir.We have studied the entanglement of two-level atoms which are put in the strongly thermal radi... The two-level atom is described by Pauli sign and environment is described by infinite harmonic particle thermal reservoir.We have studied the entanglement of two-level atoms which are put in the strongly thermal radiation field.The two-level atoms' reducible density rectangular array is obtained.We discuss the properties of entanglement by virtue of concurrence.It is shown that the two two-level atoms initially situated in different coherent superposition states,entanglement of atoms have obvious dissimilarity. 展开更多
关键词 热辐射场 无限谐波粒子 原子 物理学
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Analytical solutions for a doubly driven two-level atom
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作者 刘晋允 贾凤东 +4 位作者 李晓康 吕双飞 许祥源 薛平 钟志萍 《Chinese Physics B》 SCIE EI CAS CSCD 2017年第7期96-100,共5页
We have deduced analytical solutions of an energy level diagram of the doubly driven/dressed atom for a two-level atom exposed to a strong near-resonant bichromatic laser field in a special case, i.e., the bichromatic... We have deduced analytical solutions of an energy level diagram of the doubly driven/dressed atom for a two-level atom exposed to a strong near-resonant bichromatic laser field in a special case, i.e., the bichromatic field with frequencies ω1 and ω2, and Rabi frequencies ?1 and ?2, in which the first coupling field of ?1 acts on the bare atomic levels, and then the resulting singly dressed states are driven by the second coupling field of ?2, thus resulting in the doubly dressed atom.We have measured the probe absorption spectra of a doubly driven two-level atom. The system consists of 52S1/2, F= 2 and 5~2P_(3/2), F'= 3 states of ^(87)Rb atoms in a magneto-optical trap(MOT) as well as the cooling/trapping beams and an additional coupling field. As for the spectroscopic properties of the doubly driven two-level atom, theoretical analytical solutions are in general agreement with the experimental spectrum as a whole. 展开更多
关键词 the doubly driven/dressed atom near-resonant bichromatic laser field energy level
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Entanglement of Moving and Non-Moving Two-Level Atoms
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作者 Mohamad Kh. Ismail Tarek M. El-Shahat 《Journal of Quantum Information Science》 2017年第4期172-184,共13页
In this paper we study the dynamics of the atomic inversion, von Neumann entropy and entropy squeezing for moving and non-moving two-level atoms interacting with a Perelomov coherent state. The final state of the syst... In this paper we study the dynamics of the atomic inversion, von Neumann entropy and entropy squeezing for moving and non-moving two-level atoms interacting with a Perelomov coherent state. The final state of the system using specific initial conditions is obtained. The effects of Perelomov and detuning parameters are examined in the absence and presence of the atomic motion. Important phenomena such as the collapse and revival are shown to be very sensitive to the variation of the Perelomov parameter in the presence of detuning parameter. The results show that the Perelomov parameter is very useful in generating a high amount of entanglement due to variation of the detuning parameter. 展开更多
关键词 atomIC Inversion Von NEUMANN ENTROPY atomIC Motion ENTROPY SQUEEZING
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Some studies of the interaction between two two-level atoms and SU(1,1) quantum systems
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作者 T M El-Shahat M Kh Ismail 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第10期116-122,共7页
Herein, we present an approach to look for the best phenomenon to measure quantum correlation. The system of two isolated qubits each interacting with a single-mode cavity was theoretically created to study the quantu... Herein, we present an approach to look for the best phenomenon to measure quantum correlation. The system of two isolated qubits each interacting with a single-mode cavity was theoretically created to study the quantum correlation. Some of the phenomena, such as the quantum discord and concurrence, were generated through such a system. The influences of initial state purity, qubit motion, and detuning parameters were discussed for the phenomena. These parameters for a specific value show that the behavior of phenomena are analogous. It is interesting to mention that some values of detuning undergo a sudden death of phenomena, and the quantum discord still captures the qubits quantum correlation. We predict that the quantum discord may be a better measure of quantum correlation than concurrence. 展开更多
关键词 an isolated atom with a cavity SU (1 1) quantum discord concurrence
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Observation of Superluminal in Doppler Broadened Two-Level Atomic Systems in Magnetic Field
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作者 Shuangqiang Liu Yundong Zhang +1 位作者 Hao Wu Ping Yuan 《Journal of Modern Physics》 2010年第4期276-280,共5页
A novel method to control the group velocity of light propagation in a two-level atomic system without additional optical field is proposed. Numerical result and experimental data shows that by changing the magnetic f... A novel method to control the group velocity of light propagation in a two-level atomic system without additional optical field is proposed. Numerical result and experimental data shows that by changing the magnetic field intensity and vapor temperature, the group velocity of probe light can be controlled in an appropriate region. 展开更多
关键词 MULTIPHOTON Processes atom Optics HYPERFINE Structure ZEEMAN Effect
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Entanglement and Other Nonclassical Properties of Two Two-Level Atoms Interacting with a Two-Mode Binomial Field: Constant and Intensity-Dependent Coupling Regimes
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作者 M.K.Tavassoly H.Hekmatara 《Communications in Theoretical Physics》 SCIE CAS CSCD 2015年第10期439-446,共8页
In this paper, we consider the interaction between two two-level atoms and a two-mode binomial field with a general intensity-dependent coupling regime. The outlined dynamical problem has explicit analytical solution,... In this paper, we consider the interaction between two two-level atoms and a two-mode binomial field with a general intensity-dependent coupling regime. The outlined dynamical problem has explicit analytical solution, by which we can evaluate a few of its physical features of interest. To achieve the purpose of the paper, after choosing a particular nonlinearity function, we investigate the quantum statistics, atomic population inversion and at last the linear entropy of the atom-field system which is a good measure for the degree of entanglement. In detail, the effects of binomial field parameters, in addition to different initial atomic states on the temporal behavior of the mentioned quantities have been analyzed. The results show that, the values of binomial field parameters and the initial state of the two atoms influence on the nonclassical effects in the obtained states through which one can tune the nonclassicality criteria appropriately.Setting intensity-dependent coupling function equal to 1 reduces the results to the constant coupling case. By comparing the latter case with the nonlinear regime, we will observe that the nonlinearity disappears the pattern of collapse-revival phenomenon in the evolution of Mandel parameter and population inversion(which can be seen in the linear case with constant coupling), however, more typical collapse-revivals will be appeared for the cross-correlation function in the nonlinear case. Finally, in both linear and nonlinear regime, the entropy remains less than(but close to) 0.5. In other words the particular chosen nonlinearity does not critically affect on the entropy of the system. 展开更多
关键词 Jaynes–Cummings model atom-field interaction two-m
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Atomic-scale investigation on the evolution of T_(1) precipitates in an aged Al-Cu-Li-Mg-Ag alloy 被引量:1
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作者 Xinyue Zhao Juan Ding +2 位作者 Daihong Xiao Lanping Huang Wensheng Liu 《Journal of Materials Science & Technology》 2025年第6期139-148,共10页
The T_(1)(Al_(2) CuLi)phase is one of the most effective strengthening nanoscale-precipitate in Al-Cu alloys with Li.However,its formation and evolution still need to be further clarified during aging due to the compl... The T_(1)(Al_(2) CuLi)phase is one of the most effective strengthening nanoscale-precipitate in Al-Cu alloys with Li.However,its formation and evolution still need to be further clarified during aging due to the complex precipitation sequences.Here,a detailed investigation has been carried out on the atomic struc-tural evolution of T_(1) precipitate in an aged Al-Cu-Li-Mg-Ag alloy using state-of-the-art Cs-corrected high-angle annular dark field(HAADF)-coupled with integrated differential phase contrast(iDPC)-scanning transmission electron microscopy(STEM)and energy-dispersive X-ray spectroscopy(EDXS)techniques.An intermediate T_(1)’phase between T_(1p) and T_(1) phase,with a crystal structure and orientation rela-tionship consistent with T_(1),but exhibiting different atomic occupancy and chemical composition was found.We observed the atomic structural transformation from T_(1p) to T_(1)’phase(fcc→hcp),involving only 1/12<112>Al shear component.DFT calculation results validated our proposed structural models and the precipitation sequence.Besides,the distributions of minor solute elements(Ag,Mg,and Zn)in the pre-cipitates exhibited significant differences.These findings may contribute to a further understanding of the nucleation mechanism of T_(1) precipitate. 展开更多
关键词 PRECIPITATE Chemical composition atomic structure Aluminium alloy STEM
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Boosting bidirectional sulfur conversion enabled by introducing boron-doped atoms and phosphorus vacancies in Ni_(2)P for lithium-sulfur batteries 被引量:1
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作者 Lin Peng Yu Bai +3 位作者 Hang Li Meixiu Qu Zhenhua Wang Kening Sun 《Journal of Energy Chemistry》 2025年第1期760-769,共10页
Lithium-sulfur (Li-S) batteries have gained great attention due to the high theoretical energy density and low cost,yet their further commercialization has been obstructed by the notorious shuttle effect and sluggish ... Lithium-sulfur (Li-S) batteries have gained great attention due to the high theoretical energy density and low cost,yet their further commercialization has been obstructed by the notorious shuttle effect and sluggish redox dynamics.Herein,we supply a strategy to optimize the electron structure of Ni_(2)P by concurrently introducing B-doped atoms and P vacancies in Ni_(2)P (Vp-B-Ni_(2)P),thereby enhancing the bidirectional sulfur conversion.The study indicates that the simultaneous introduction of B-doped atoms and P vacancies in Ni_(2)P causes the redistribution of electron around Ni atoms,bringing about the upward shift of d-band center of Ni atoms and effective d-p orbital hybridization between Ni atoms and sulfur species,thus strengthening the chemical anchoring for lithium polysulfides (LiPSs) as well as expediting the bidirectional conversion kinetics of sulfur species.Meanwhile,theoretical calculations reveal that the incorporation of B-doped atoms and P vacancies in Ni_(2)P selectively promotes Li2S dissolution and nucleation processes.Thus,the Li-S batteries with Vp-B-Ni_(2)P-separators present outstanding rate ability of 777 m A h g^(-1)at 5 C and high areal capacity of 8.03 mA h cm^(-2)under E/S of 5μL mg^(-1)and sulfur loading of 7.20 mg cm^(-2).This work elucidates that introducing heteroatom and vacancy in metal phosphide collaboratively regulates the electron structure to accelerate bidirectional sulfur conversion. 展开更多
关键词 B-doped atoms P vacancies Nickel phosphide Bidirectional sulfur conversion Lithium-sulfur batteries
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Biomass-derived single atom catalysts with phosphorus-coordinated Fe-N_(3)P configuration for efficient oxygen reduction reaction 被引量:1
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作者 Peng-Peng Guo Abrar Qadir +6 位作者 Chao Xu Kun-Zu Yang Yong-Zhi Su Xin Liu Ping-Jie Wei Qinggang He Jin-Gang Liu 《Green Energy & Environment》 2025年第5期1064-1072,共9页
Exploiting non-precious metal catalysts with excellent oxygen reduction reaction(ORR)performance for energy devices is paramount essential for the green and sustainable society development.Herein,low-cost,high-perform... Exploiting non-precious metal catalysts with excellent oxygen reduction reaction(ORR)performance for energy devices is paramount essential for the green and sustainable society development.Herein,low-cost,high-performance biomass-derived ORR catalysts with an asymmetric Fe-N_(3)P configuration was prepared by a simple pyrolysis-etching technique,where carboxymethyl cellulose(CMC)was used as the carbon source,urea and 1,10-phenanthroline iron complex(FePhen)as additives,and Na_(3)PO_(4)as the phosphorus dopant and a pore-forming agent.The CMC-derived FeNPC catalyst displayed a large specific area(BET:1235 m^(2)g^(-1))with atomically dispersed Fe-N_(3)P active sites,which exhibited superior ORR activity and stability in alkaline solution(E_(1/2)=0.90 V vs.RHE)and Zn-air batteries(P_(max)=149 mW cm^(-2))to commercial Pt/C catalyst(E_(1/2)=0.87 V,P_(max)=118 mW cm^(-2))under similar experimental conditions.This work provides a feasible and costeffective route toward highly efficient ORR catalysts and their application to Zn-air batteries for energy conversion. 展开更多
关键词 Oxygen reduction reaction Biomass-derived electrocatalyst Single atom catalyst Phosphorus dopant Zn-air battery
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Rare Earth Oxide Surface Modification of Porous SiO_(2) Film Prepared by Atomic Layer Deposition
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作者 JIN Jianfei LÜLin +3 位作者 LI Ying YAN Lu CAO Yunzhen LI Wei 《无机材料学报》 北大核心 2025年第9期1029-1036,I0003,共9页
Broadband transparent films play a pivotal role in various applications such as lenses and solar cells,particularly porous structured transparent films exhibit significant potential.This study investigates a porous Si... Broadband transparent films play a pivotal role in various applications such as lenses and solar cells,particularly porous structured transparent films exhibit significant potential.This study investigates a porous SiO_(2) refractive index gradient anti-reflective film prepared by atomic layer deposition(ALD).A porous SiO_(2) film with gradual porosity was obtained by phosphoric acid etching of Al_(2)O_(3)/SiO_(2) multilayers with gradient Al2O3 ratios,achieving a gradual decrease in refractive index from the substrate to the surface.The film exhibited an average transmittance as high as 97.8%within the wavelength range from 320 nm to 1200 nm.The environmental adaptability was further enhanced by surface modification using rare earth oxide(REO)La_(2)O_(3),resulting in formation of a lotus leaf-like structure and achieving a water contact angle of 100.0°.These data proved that the modification significantly improved hydrophobic self-cleaning capability while maintaining exceptional transparency of the film.The surface structure of the modified film remained undamaged even after undergoing wipe testing,demonstrating its excellent surface durability. 展开更多
关键词 porous SiO_(2) rare earth oxide atomic layer deposition anti-reflective SELF-CLEANING
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Theoretical Insights into the Atomic and Electronic Structures of Polyperyleneimide:On the Origin of Photocatalytic Oxygen Evolution Activity
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作者 Yi-Qing Wang Zhi Lin +1 位作者 Ming-Tao Li Shao-Hua Shen 《电化学(中英文)》 北大核心 2025年第5期28-36,共9页
Polymeric perylene diimide(PDI)has been evidenced as a good candidate for photocatalytic water oxidation,yet the origin of the photocatalytic oxygen evolution activity remains unclear and needs further exploration.Her... Polymeric perylene diimide(PDI)has been evidenced as a good candidate for photocatalytic water oxidation,yet the origin of the photocatalytic oxygen evolution activity remains unclear and needs further exploration.Herein,with crystal and atomic structures of the self-assembled PDI revealed from the X-ray diffraction pattern,the electronic structure is theoretically illustrated by the first-principles density functional theory calculations,suggesting the suitable band structure and the direct electronic transition for efficient photocatalytic oxygen evolution over PDI.It is confirmed that the carbonyl O atoms on the conjugation structure serve as the active sites for oxygen evolution reaction by the crystal orbital Hamiltonian group analysis.The calculations of reaction free energy changes indicate that the oxygen evolution reaction should follow the reaction pathway of H_(2)O→^(*)OH→^(*)O→^(*)OOH→^(*)O_(2)with an overpotential of 0.81 V.Through an in-depth theoretical computational analysis in the atomic and electronic structures,the origin of photocatalytic oxygen evolution activity for PDI is well illustrated,which would help the rational design and modification of polymeric photocatalysts for efficient oxygen evolution. 展开更多
关键词 Photocatalytic oxygen evolution Polymeric perylene diimide atomic structure Electronic structure Reaction pathway
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