Advanced Theory and Simulations最新文献

{"title":"Electro-Thermo-Optical Simulations of Phase-Change GST-SiC Plasmonic Optical Modulator for Telecom Applications","authors":"Mobina Abbaspour,&nbsp;Mahmoud Nikoufard,&nbsp;Alireza Malek Mohammad","doi":"10.1002/adts.202400546","DOIUrl":"10.1002/adts.202400546","url":null,"abstract":"<p>This study proposes a novel plasmonic optical modulator integrating the phase-change material germanium-antimony-tellurium (GST) with a silicon carbide (SiC) waveguide for telecom applications. The design utilizes a 10 nm GST cladding layer and a 290 nm thick, 100 nm wide SiC ridge waveguide, with gold electrodes enabling electrothermal switching of GST between amorphous and crystalline states. Comprehensive simulations spanning optical, electrical-thermal, and opto-thermal domains investigated the modulator's performance. Optical simulations examine the effects of wavelength, ridge width, and GST thickness on effective refractive index, confinement factor, and effective area. Electrical-thermal simulations determines voltage pulse parameters for phase transitions and analyzed temperature distributions. Opto-thermal simulations explored temperature's influence on the effective refractive index during phase transitions. Results demonstrate the modulator's potential, achieving 160 Mb s⁻¹ at 1.55 µm. The SiC-GST integration offers high thermal conductivity, low thermo-optic coefficient, and significant refractive index contrast between GST phases, enabling efficient light modulation for high-performance, compact, energy-efficient optical modulators advancing integrated photonics.</p>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"7 12","pages":""},"PeriodicalIF":2.9,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142198004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Device Simulation of 25.9% Efficient \u0000 \u0000 \u0000 \u0000 ZnO\u0000 x\u0000 \u0000 \u0000 N\u0000 y\u0000 \u0000 \u0000 ${rm ZnO}_x{rm N}_y$\u0000 /Si Tandem Solar Cell","authors":"Ingvild Bergsbak,&nbsp;Ørnulf Nordseth,&nbsp;Kjetil K. Saxegaard,&nbsp;Vegard S. Olsen,&nbsp;Holger von Wenckstern,&nbsp;Kristin Bergum","doi":"10.1002/adts.202400252","DOIUrl":"10.1002/adts.202400252","url":null,"abstract":"&lt;p&gt;The novel, high electron mobility material &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;ZnO&lt;/mi&gt;\u0000 &lt;mi&gt;x&lt;/mi&gt;\u0000 &lt;/msub&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;N&lt;/mi&gt;\u0000 &lt;mi&gt;y&lt;/mi&gt;\u0000 &lt;/msub&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;${rm ZnO}_x{rm N}_y$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; has been investigated theoretically as an absorber in a two-terminal tandem solar cell. In addition to its high mobility, &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;ZnO&lt;/mi&gt;\u0000 &lt;mi&gt;x&lt;/mi&gt;\u0000 &lt;/msub&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;N&lt;/mi&gt;\u0000 &lt;mi&gt;y&lt;/mi&gt;\u0000 &lt;/msub&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;${rm ZnO}_x{rm N}_y$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; can attain sufficiently low carrier concentration to enable &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;p&lt;/mi&gt;\u0000 &lt;mi&gt;n&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;$pn$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt;-junctions, and has a tunable bandgap around the 1.7 eV range. It is therefore suitable for pairing with a Si-based bottom cell. In addition to the &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;ZnO&lt;/mi&gt;\u0000 &lt;mi&gt;x&lt;/mi&gt;\u0000 &lt;/msub&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;N&lt;/mi&gt;\u0000 &lt;mi&gt;y&lt;/mi&gt;\u0000 &lt;/msub&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;${rm ZnO}_x{rm N}_y$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; layer, the tandem cell consists of a &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;Cu&lt;/mi&gt;\u0000 &lt;mn&gt;2&lt;/mn&gt;\u0000 &lt;/msub&gt;\u0000 &lt;mi&gt;O&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;${rm Cu}_2{rm O}$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; emitter and a Si heterojunction bottom cell. A buffer layer is introduced between the emitter and absorber in the top cell to mediate a large valence band offset that resulted in a poor fill factor, &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mi&gt;F&lt;/mi&gt;\u0000 &lt;mi&gt;F&lt;/mi&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;$FF$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt;. A &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;ZnO&lt;/mi&gt;\u0000 &lt;mi&gt;x&lt;/mi&gt;\u0000 ","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"7 12","pages":""},"PeriodicalIF":2.9,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/adts.202400252","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142160991","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-Principles Calculation of Elastic Properties in LixZn1−xO:Nd3+ Mechanoluminescence Material (Adv. Theory Simul. 9/2024)","authors":"Soichiro Kawana,&nbsp;Kenji Hirata,&nbsp;Yuki Fujio,&nbsp;Tomoki Uchiyama,&nbsp;Chao-Nan Xu","doi":"10.1002/adts.202470020","DOIUrl":"https://doi.org/10.1002/adts.202470020","url":null,"abstract":"<p>Adding Li to ZnO:Nd³⁺ based on first-principles calculations reduces the elastic properties such as Young's modulus, bulk modulus, and shear modulus. In the softened Li_<i>x</i>Zn_1−<i>x</i>O:Nd³⁺ system, the introduction of significant strain energy is expected to improve the mechanoluminescence intensity. For further details of this study, see article number 2400099 by Chao-Nan Xu and co-workers.\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"7 9","pages":""},"PeriodicalIF":2.9,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/adts.202470020","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142160288","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Detailed First-Principles Study of the Structural, Elastic, Thermomechanical, and Optoelectronic Properties of Binary Rare-Earth Tritelluride NdTe3","authors":"Tanbin Chowdhury,&nbsp;B. Rahman Rano,&nbsp;Ishtiaque M. Syed,&nbsp;S. H. Naqib","doi":"10.1002/adts.202400528","DOIUrl":"10.1002/adts.202400528","url":null,"abstract":"<p>Rare-earth tritellurides (<i>R</i>Te₃) are popular for their charge density wave (CDW) phase, magnetotransport properties, and pressure-induced superconducting state among other features. In this literature, Density functional theory is exploited to study various properties of NdTe₃. The calculated elastic and thermomechanical parameters, which are hitherto untouched for any <i>R</i>Te₃, uncover soft, ductile, highly machinable, and damage-tolerant characteristics, as well as highly anisotropic mechanical behavior of this layered compound. Its thermomechanical properties make it a prospective thermal barrier coating material. Band structure, density of states, Fermi surfaces, and various optical functions of the material are reported. The band structure demonstrates highly directional metallic nature. The highly dispersive bands indicate very low effective charge carrier mass for the in-plane directions. The Fermi surfaces display symmetric pockets, including signs of nesting, bilayer splitting among others, corroborating previous works. The optical spectra expose high reflectivity across the visible region, while absorption is high in the ultraviolet region. Two plasma frequencies are noticed in the optical loss function. The optical conductivity, reflectivity, and absorption reaffirm its metallic properties. The electronic band structure manifests evidence of CDW phase in the ground state.</p>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"7 11","pages":""},"PeriodicalIF":2.9,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142160995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Amino Acid Sorting Based on Bifurcated Nanochannels with Tunable Surface Charge (Adv. Theory Simul. 9/2024)","authors":"Zhen Zhang,&nbsp;Gensheng Wu,&nbsp;Yin Zhang,&nbsp;Jingjie Sha,&nbsp;Wei Si","doi":"10.1002/adts.202470019","DOIUrl":"https://doi.org/10.1002/adts.202470019","url":null,"abstract":"<p>The cover image depicts the transfer of biomolecules in double charge-modified nanochannels for efficient targeted sorting of different types of amino acids. This phenomenon is attributed to the generation of opposing electroosmotic fluxes within the different charge-modified nanochannels, which allows amino acids to be efficiently separated and sorted according to their specific charge properties. The central motif symbolizes the periodically switching external electric field. For further information, see article number 2301251 by Wei Si and co-workers.\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"7 9","pages":""},"PeriodicalIF":2.9,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/adts.202470019","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142160282","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Masthead (Adv. Theory Simul. 9/2024)","authors":"","doi":"10.1002/adts.202470021","DOIUrl":"https://doi.org/10.1002/adts.202470021","url":null,"abstract":"","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"7 9","pages":""},"PeriodicalIF":2.9,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/adts.202470021","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142160279","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Signal Components and Impedance Spectroscopy of Potential p-Si/n-CdS/ALD-ZnO Solar Cells: EIS and SCAPS-1D Treatments","authors":"Atish Kumar Sharma,&nbsp;Ankita Srivastava,&nbsp;Prakash Kumar Jha,&nbsp;Keyur Sangani,&nbsp;Nitesh K. Chourasia,&nbsp;Ritesh Kumar Chourasia","doi":"10.1002/adts.202400688","DOIUrl":"10.1002/adts.202400688","url":null,"abstract":"<p>A silicon heterojunction (SHJ) solar cell with the attractive and widely used atomic layer deposited (ALD)-ZnO/n-CdS/p-Si configuration is examined in this work to learn more about its electrical properties. Using EIS and SCAPS-1D, a comprehensive model of the device is created and then simulated. Theoretical aspects of the cell are examined through the use of similar electrical circuit models, focusing on the transmittance spectrum made possible by the ALD-ZnO layer's low reflectance and high visible transmittance. In this study, the C–V tool is used to study the trap states in the silicon absorber layer under different lighting conditions and wavelengths. The doping concentration and built-in potential are determined using the Mott–Schottky technique. In addition, the cell's properties are investigated by measuring its G–V, G–F, C–T, and C–F in different real-world scenarios. As a means of visualizing the electrochemical impedance data, Nyquist plots—sometimes called Cole–Cole plots—are utilized. By utilizing absolute impedance and phase shifts, Bode plots are employed to examine the system's frequency response. Last, the results of the SHJ cell's spectral response measurements are given, which confirm the results of the Nyquist plots.</p>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"7 12","pages":""},"PeriodicalIF":2.9,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142160992","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Non-Monotonic Variation of the Low Lattice Thermal Conductivity with Temperature in Penta-HgO2 Sheet","authors":"Asghar Hussain,&nbsp;Chenxin Zhang,&nbsp;Changsheng Hou,&nbsp;Qian Wang","doi":"10.1002/adts.202400598","DOIUrl":"10.1002/adts.202400598","url":null,"abstract":"<p>Inspired by the experimental synthesis of bulk HgO₂ with the potential of exfoliation to form a penta-HgO₂ sheet composed entirely of pentagonal motifs, a detailed theoretical study on the lattice thermal conductivity by using first-principles calculations combined with the unified theory of thermal transport is performed. It is found that the penta-HgO₂ sheet is semiconducting with an indirect bandgap of 1.18 eV and possesses a low lattice thermal conductivity of 2.07 W m⁻¹ K⁻¹ (3.28 W m⁻¹ K⁻¹) along the <i>x</i> (<i>y</i>)-direction at 300 K. More interestingly, the variation of its thermal conductivity with temperature is non-monotonic, different from most cases. The phonon dispersion, phonon scattering, and phonon coherence is further systematically investigated to understand the underlying physics. This results suggest that the strong intrinsic anharmonicity resulting from its unique atomic configuration with the buckled structure and the heavy element of Hg leads to a high scattering rate, resulting in the ultralow particle-like thermal transport of 0.20 W m⁻¹ K⁻¹ (0.01 W m⁻¹ K⁻¹) in the <i>x</i> (<i>y</i>)-direction, while the narrow average frequency interval and strong phonon linewidth are responsible for the dominant coherent thermal transport and non-monotonic variation of the low lattice thermal conductivity of the penta-HgO₂ sheet.</p>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"7 12","pages":""},"PeriodicalIF":2.9,"publicationDate":"2024-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142159016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Wetting and Dewetting Behaviors of Droplets on the Nanoring Surface","authors":"Ziyi Cheng,&nbsp;Xiao Wu,&nbsp;Yudong Zhang,&nbsp;Wei Peng,&nbsp;Mingfu Zhu,&nbsp;Tianshui Liang,&nbsp;Shijiao Li,&nbsp;Yilin Hao,&nbsp;Zheyuan Zhang,&nbsp;Ronghan Wei","doi":"10.1002/adts.202400610","DOIUrl":"10.1002/adts.202400610","url":null,"abstract":"<p>This study uses molecular dynamics simulations to investigate the wetting behavior of water droplets on a gold substrate with annular grooves. The research finds that droplet size and substrate hydrophilicity similarly affect wetting behavior. Enhanced hydrophilicity changes the velocity trend of droplet contact line movement, while droplet size impacts the magnitude of velocity change. Contact angle fluctuations are observed and analyzed theoretically based on Young's equation. The results provide insights into the relationship between droplet dynamics and surface structure, contributing to a better understanding of wetting processes at the microscopic level.</p>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"7 12","pages":""},"PeriodicalIF":2.9,"publicationDate":"2024-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142159015","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Transition Metal-Derived 2D Layered Perovskites: A Promising Alternative to Pb in Photovoltaic Systems","authors":"Tanmoy Kalita,&nbsp;Pallab Das,&nbsp;Dhruba Jyoti Kalita","doi":"10.1002/adts.202400391","DOIUrl":"10.1002/adts.202400391","url":null,"abstract":"&lt;p&gt;The high sensitivity of 3D perovskites toward air and moisture hampers their commercialization due to material decomposition. Introducing their 2D counterparts may provide a remedy to these stability issues, as hydrophobic bulky organic cations can resist direct contact of [&lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;MX&lt;/mi&gt;\u0000 &lt;mn&gt;6&lt;/mn&gt;\u0000 &lt;/msub&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mo&gt;]&lt;/mo&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;msup&gt;\u0000 &lt;mrow&gt;&lt;/mrow&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mn&gt;4&lt;/mn&gt;\u0000 &lt;mo&gt;−&lt;/mo&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;/msup&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;${rm MX}_6]{}^{4-}$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt; sheets with moisture in the air. In addition to air and water stability, 2D perovskites offer tunable optoelectronic properties through structural modulation, similar to their 3D counterparts. In this study, six different transition metal (TM)-based 2D hybrid halide perovskites are designed: &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msub&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mo&gt;(&lt;/mo&gt;\u0000 &lt;mi&gt;TTMA&lt;/mi&gt;\u0000 &lt;mo&gt;)&lt;/mo&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;mn&gt;2&lt;/mn&gt;\u0000 &lt;/msub&gt;\u0000 &lt;mspace&gt;&lt;/mspace&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;PdCl&lt;/mi&gt;\u0000 &lt;mn&gt;4&lt;/mn&gt;\u0000 &lt;/msub&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;${rm (TTMA)}_2,{rm PdCl}_4$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt;, &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msub&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mo&gt;(&lt;/mo&gt;\u0000 &lt;mi&gt;TTMA&lt;/mi&gt;\u0000 &lt;mo&gt;)&lt;/mo&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;mn&gt;2&lt;/mn&gt;\u0000 &lt;/msub&gt;\u0000 &lt;mspace&gt;&lt;/mspace&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;PdBr&lt;/mi&gt;\u0000 &lt;mn&gt;4&lt;/mn&gt;\u0000 &lt;/msub&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;${rm (TTMA)}_2,{rm PdBr}_4$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt;, &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mrow&gt;\u0000 &lt;msub&gt;\u0000 &lt;mrow&gt;\u0000 &lt;mo&gt;(&lt;/mo&gt;\u0000 &lt;mi&gt;TTMA&lt;/mi&gt;\u0000 &lt;mo&gt;)&lt;/mo&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;mn&gt;2&lt;/mn&gt;\u0000 &lt;/msub&gt;\u0000 &lt;mspace&gt;&lt;/mspace&gt;\u0000 &lt;msub&gt;\u0000 &lt;mi&gt;PdI&lt;/mi&gt;\u0000 &lt;mn&gt;4&lt;/mn&gt;\u0000 &lt;/msub&gt;\u0000 &lt;/mrow&gt;\u0000 &lt;annotation&gt;${rm (TTMA)}_2,{rm PdI}_4$&lt;/annotation&gt;\u0000 &lt;/semantics&gt;&lt;/math&gt;, &lt;span&gt;&lt;/span&gt;&lt;math&gt;\u0000 &lt;semantics&gt;\u0000 &lt;mr","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"7 12","pages":""},"PeriodicalIF":2.9,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142123906","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}