NSTL国家科技图书文献中心

1. In-plane anisotropic dispersion property and second-harmonic generation of violet phosphorus with two-dimensional nano-interlocking structure NSTL国家科技图书文献中心

Zhao, Qiyi | Xue, Ze ... - 《Physica,E.Low-dimensional systems & nanostructures》 - 2025,165 - 共9页

摘要：The unique one-dimensional* chain structure of* | development of novel two-dimensional* layered nanomaterials* | violet phosphorus provides an ideal platform for the | study of second-order nonlinear optical properties | . This also offers more possibilities for the further

关键词： Second harmonic generation | Band edge three-dimensional dispersion | Two-dimensional interlocking structure | Violet phosphorus | First-principles calculations

2. Synthesis, antifungal evaluation, two‐dimensional quantitative structure–activity relationship and molecular docking studies of isoxazole derivatives as potential fungicides NSTL国家科技图书文献中心

Kailashpati Tripathi | Parshant Kaushik ... - 《Pest Management Science》 - 2025,81(5) - 2579～2597 - 共19页

摘要：. fujikuroi. Two‐dimensional* quantitative structural* | Abstract BACKGROUND Sheath blight and bakanae | disease, prominent among emerging rice ailments, exert a | profound impact on rice productivity, causing severe | impediments to crop yield. Excessive use of older fungicides

关键词： azole derivatives | antifungal activity | Rhizoctonia solani | Fusarium fujikuroi | QSAR

3. Exploration of electronic structure and photocatalytic behavior in a GeSe/ PtO2 two-dimensional heterojunction via first-principles analysis NSTL国家科技图书文献中心

Li, Dan | Luo, Wentao ... - 《Materials Today Chemistry》 - 2025,45 - 共11页

摘要： structure characteristics in the GeSe/PtO2 heterojunction | , that is a typical II band structure, which is | two individual layers, and the smaller bandgap | In response to the pressing energy shortages | and environmental degradation challenges, employing

关键词： First-principles | GeSe/PtO2 heterojunction | Z-Scheme | Water splitting

4. Localization and other properties of electronic states in a semiconductor revealed by their response to surface doping and band-bending potential NSTL国家科技图书文献中心

Jacek J. Kolodziej | Dawid Wutke ... - 《Applied Surface Science》 - 2025,679(Jan.15) - 161195.1～161195.12 - 共12页

摘要： formation of two-dimensional* electron gases (2DEGs). The* | band structure* of the 2DEGs as well as the coexisting* | 3D bulk electronic structure* are investigated. We* | Using photoelectron spectroscopy (PES), we | study InAs(001) and InAs(110) surfaces, doped with Te

关键词： Two dimensional electron gas | Band-bending | Indium arsenide | Angler resolved photoelectron spectroscopy | Semiconductor electronic structure

5. Discovering XSiGeN4: 2D Janus layers with ultra-high carrier mobility and pathways to future electronics NSTL国家科技图书文献中心

Zhang, Bo | Wang, Huai-Qian ... - 《Surfaces and interfaces》 - 2025,60 - 共9页

摘要：The two-dimensional* (2D) Janus monolayers (MLs* | semiconductors. The asymmetry of the Janus structure* not only* | nonlinear band structure* behavior. It changes the fitting* | fields allow for band structure* modulation, making the* | ) and bilayers (BLs) of the MA2Z4 family play an

关键词： Carrier mobility | Van der Waals bilayer | Janus structure | Two-dimensional material | Photocatalysis

6. Linearization routines for the parameter space concept to determine crystal structures without Fourier inversion NSTL国家科技图书文献中心

Muthu Vallinayagam | Melanie Nentwich ... - 《Journal of Applied Crystallography》 - 2025,58(3) - 768～788 - 共21页

摘要： of various random two‐ and three‐atom structure | inversion but rather considers all structure* parameter* | structure‐factor amplitudes or intensities represented by | possible solutions for the given structure‐factor | of the isosurfaces. The applied one‐dimensional

关键词： crystal structure determination | centrosymmetric structures | two‐ and three‐dimensional parameter space | linearization | parameter space concept | Monte Carlo simulation | one‐dimensional projection | X‐ray diffraction

7. Electronic structure and absorption characteristics of two-dimensional perovskites Cs n+1 Pb n Cl 3n+1 (n=1, 2, and 4): Co-regulation of the number of layers and Ge doping concentration NSTL国家科技图书文献中心

Xiao, Wenbo | Guo, Xinping ... - 《Journal of Power Sources》 - 2025,628(Feb.1) - 1.1～1.11 - 共11页

摘要： (001) crystal plane of CsPbCl3. The lattice structure | , band structure, density of states, and absorption | The structures of monolayer (Cs2PbCl4 | ), bilayer (Cs3Pb2Cl7), and tetralayer (Cs5Pb4Cl13) 2D | CsPbCl3 perovskites are constructed by cutting along the

关键词： 2D CsPbCl3 | Ge doping | Electronic structure | Absorption characteristic | Regulate | SPIN-HAMILTONIAN PARAMETERS | OPTOELECTRONIC PROPERTIES | OPTICAL-PROPERTIES | HALIDE PEROVSKITE | SOLAR-CELLS...

8. 全反射高速陽電子回折による最表面構造研究 NSTL国家科技图书文献中心

深谷有喜 - 《表面と真空》 - 2025,68(2) - 91～96 - 共6页

摘要：全反射高速陽電子回折（Total-reflection high-energy | positron diffraction, TRHEPD）は，反射高速電子回折（RHEED）の陽電子版である。電子 | の反粒子である陽電子をプローブとして用いることで，物質最表面に極めて高い敏感性を持つ構造解析手法と | なる。これは，陽電子が持つプラスの電荷の特性に由来する。TRHEPDの模式図をFig.1に示す。10 | ～20kVに加速した陽電子ビームを試料表面に対してすれすれの視射角（θ）で入射し，スクリーン上に映し出さ

关键词： Positron | Diffraction | Surface structure | Graphene | Two-dimensional materials

9. Investigating the role of two-dimensional and three-dimensional urban structures in seasonal surface radiation budget NSTL国家科技图书文献中心

Chen J. | Cao S.... - 《Building and environment》 - 2025,267(Jan. Pt.B) - 1.1～1.14 - 共14页

摘要： illuminated the effects of two-dimensional* urban* | elucidating the nuanced interplay between three-dimensional | © 2024 Elsevier LtdSurface net radiation (SNR | ), a cornerstone in the intricate energy balance of | urban climate systems, has garnered significant

关键词： And urban surface energy balance | Surface net radiation | Three-dimensional urban structure | Two-dimensional urban structure | XGBoost

10. Regular and chaotic dynamics in a 2D discontinuous financial market model with heterogeneous traders NSTL国家科技图书文献中心

Iryna Sushko | Fabio Tramontana - 《Mathematics and computers in simulation》 - 2025,230(Apr.) - 386～399 - 共14页

摘要： described by a two-dimensional* discontinuous map defined* | : fundamentalists and chartists of two* types, namely, trend* | by two* linear functions, where one acts in the* | partition between two* (parallel) discontinuity lines and* | the overall bifurcation structure* observed in the*

关键词： Two-dimensional discontinuous map | Bifurcation structure of the parameter space | Border-collision bifurcations | Regular and chaotic attractors | Degenerate bifurcations | Financial market model with heterogeneous traders

摘要：The unique one-dimensional chain structure of | development of novel two-dimensional layered nanomaterials | violet phosphorus provides an ideal platform for the | study of second-order nonlinear optical properties | . This also offers more possibilities for the further