Physica E-low-dimensional Systems & Nanostructures最新文献

{"title":"Manipulation of valley polarization and anomalous valley Hall effect in monolayer ferrovalley AgMoP2S6","authors":"Lan Luo ,&nbsp;Xianjuan He ,&nbsp;Wenzhe Zhou ,&nbsp;Qinglin Xia ,&nbsp;Fangping Ouyang","doi":"10.1016/j.physe.2025.116387","DOIUrl":"10.1016/j.physe.2025.116387","url":null,"abstract":"<div><div>Due to the role of the valley as an information carriers, two-dimensional valleytronics materials have broad prospects in information storage in the future. However, materials with intrinsic valley polarization are rare. In our work, using first-principles calculations, we propose a valleytronics material monolayer (ML) AgMoP₂S₆ with a ferromagnetic(FM) ground state. The ferromagnetic exchange interaction breaks the time-reversal symmetry, which results in a spontaneous valley polarization of 78 meV at the K/-K points on the valence band under the action of strong SOC. The valley polarization can be tuned by biaxial strain and Hubbard U, and when the tensile strain exceeds 4 % and U exceeds 2 eV, valley polarization also appears in the conduction band. Under the action of an in-plane electric field, the breaking of valley degeneracy makes the appearance of anomalous valley Hall effect (AVHE) effect a possibility. ML AgMoP₂S₆ is an ideal valleytronics material.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116387"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145267669","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dielectric substrate dependence of thermoelectric transport in BLG-GaAs-BLG heterostructures","authors":"Vo Van Tai ,&nbsp;Truong Van Tuan ,&nbsp;Tran Trong Tai ,&nbsp;Le Tri Dat ,&nbsp;Nguyen Duy Vy","doi":"10.1016/j.physe.2025.116370","DOIUrl":"10.1016/j.physe.2025.116370","url":null,"abstract":"<div><div>We theoretically study the thermoelectric transport <span><math><mi>S</mi></math></span> in a double-layer bilayer graphene (BLG-GaAs-BLG) system on dielectric substrates (h-BN, Al<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>, HfO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>). Electrons interact with GaAs acoustic phonons via both the deformation potential (acDP) and piezoelectric (acPE) scattering. Results show that piezoelectric scattering dominates the total transport, especially at low carrier density and high dielectric constant. Substrate dielectric constant significantly influences thermopower <span><math><mi>S</mi></math></span>, and the thermopower of the materials is in the order of HfO<span><math><mrow><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub><mo>&gt;</mo></mrow></math></span> Al<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><mrow><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub><mo>&gt;</mo></mrow></math></span> h-BN. When densities on two BLG layers are unequal, the contribution from acDP scattering <span><math><msub><mrow><mi>S</mi></mrow><mrow><mi>d</mi></mrow></msub></math></span> decreases (increases) at low (high) densities versus equal densities, while acPE scattering <span><math><msub><mrow><mi>S</mi></mrow><mrow><mi>g</mi></mrow></msub></math></span> remains stable, making <span><math><mi>S</mi></math></span> largely <span><math><msub><mrow><mi>S</mi></mrow><mrow><mi>g</mi></mrow></msub></math></span>-dependent. Increasing interlayer distance <span><math><mi>d</mi></math></span> enhances <span><math><mi>S</mi></math></span>, while higher temperature boosts <span><math><msub><mrow><mi>S</mi></mrow><mrow><mi>d</mi></mrow></msub></math></span> (notably at low densities) with minimal effect on <span><math><msub><mrow><mi>S</mi></mrow><mrow><mi>g</mi></mrow></msub></math></span>. These insights and substrate-dependent trends demonstrate substrate engineering as a key parameter for optimizing BLG thermoelectric devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116370"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145097118","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The enhancement of thermoelectric performance of a quantum heat engine based on a single quantum dot embedded in Luttinger liquid leads","authors":"Kai-Hua Yang ,&nbsp;Zi-Jia Wei ,&nbsp;Huai-Yu Wang ,&nbsp;Bo-Yang Wang ,&nbsp;Pin-Wei Zhou ,&nbsp;Qian-Qian Yang","doi":"10.1016/j.physe.2025.116425","DOIUrl":"10.1016/j.physe.2025.116425","url":null,"abstract":"<div><div>We investigate the thermoelectric performance of a quantum dot coupled to Luttinger liquid leads, focusing on the effects of intralead Coulomb interaction, dot-lead coupling, load resistance, and temperature gradient by use of the nonequilibrium Green’s function method. In the linear regime, Coulomb interactions can either enhance or suppress the power factor depending on system parameters, and a high figure of merit can be achieved via interaction-induced energy filtering even with broad resonance widths. Strong interactions lead to monotonic increases in efficiency and a shift of optimal power output towards stronger coupling. In the nonlinear regime, we reveal a trade-off: stronger interactions increase efficiency but reduce power output, while large tunneling and moderate resistance optimize power. At weak coupling, Fermi liquids outperform Luttinger liquids, whereas strong coupling favors the latter. Notably, intralead interactions enable high efficiency and power over a wide parameter range. At large temperature gradients, the efficiency at maximum power can exceed the Curzon–Ahlborn limit, and the maximum efficiency can approach 90% of the Carnot limit. These results offer guidance for designing high-performance nanoscale thermoelectric devices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"176 ","pages":"Article 116425"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145615081","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Adsorption, electronic, and sensing properties of C2H4 on Au/Ag/Cu-graphene: A density functional theory study","authors":"Weiyin Li ,&nbsp;Ruiyong Shang ,&nbsp;Hao Feng ,&nbsp;Meng Wang ,&nbsp;Tongli Wei","doi":"10.1016/j.physe.2025.116361","DOIUrl":"10.1016/j.physe.2025.116361","url":null,"abstract":"<div><div>The adsorption properties of C₂H₄ gas molecules on Au_<em>n</em>/Ag_<em>n</em>/Cu_<em>n</em> (<em>n</em> = 1–3)-graphene (Gp) substrates were investigated theoretically based on density functional theory. The results show that the most stable loading sites on graphene for Au_<em>n</em>/Ag_<em>n</em>/Cu_<em>n</em> (<em>n</em> = 1–3, except for the Ag atom) clusters are the top sites, and the most stable loading site on graphene for the Ag atom is the bridge site. The Cu clusters are chemically loaded onto graphene, and the remaining clusters are physically loaded onto graphene. The adsorption of C₂H₄ on Ag-Gp is physical, and C₂H₄ is chemically adsorbed on the remaining systems by generating a new chemical bond. The adsorption abilities for the C₂H₄ molecule are in the following order: Cu-Gp &gt; Au-Gp &gt; Ag-Gp; Au₂-Gp &gt; Cu₂-Gp &gt; Ag₂-Gp; Au₃-Gp &gt; Cu₃-Gp &gt; Ag₃-Gp. Among the clusters studied, the Au₃-Gp system has the strongest adsorption effect, and the Ag-cluster-loaded graphene shows the least adsorptive capacity for the C₂H₄ molecule. The Cu-Gp system has the best sensitivity and the Ag-Gp system has the fastest recovery time for C₂H₄.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116361"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145047639","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-performance photodetector based on hybrid 2D WSe2/Ag-in-Ga-S QDs heterojunction","authors":"Jiahao Yang,&nbsp;Banqin Ruan,&nbsp;Zhentao Ke,&nbsp;Jiahao Zhang,&nbsp;Yiyang An,&nbsp;Zixuan Guo,&nbsp;Zhi Li,&nbsp;Xiufeng Song,&nbsp;Haibo Zeng","doi":"10.1016/j.physe.2025.116391","DOIUrl":"10.1016/j.physe.2025.116391","url":null,"abstract":"<div><div>Two-dimensional (2D) materials have emerged as a prominent research focus due to their excellent properties and broad application. Among these, tungsten diselenide (WSe₂), a representative transition-metal dichalcogenide (TMDC), exhibits high carrier mobility and a tunable band gap when reduced to a 2D structure, making it particularly attractive for electronic and optoelectronic applications. However, the inherent weak absorption in 2D materials remains a fundamental limitation. To address this challenge, we developed a heterojunction photodetector by integrating Ag-In-Ga-S (AIGS) quantum dots (QDs) with 2D WSe₂. The device combines the superior high carrier mobility of 2D materials with the strong light-harvesting capability of quantum dots, facilitating efficient photogenerated carrier separation and enhanced photocurrents, thereby improving photoresponse performance. The obtained heterojunction demonstrates extraordinary optoelectronic performance, achieving a responsivity of 1.81 × 10⁴ A/W, a detectivity of 1.3 × 10¹³ Jones and an external quantum efficiency of 4.27 × 10⁵ %. These results indicate the significant potential of 2D materials/QDs hybrid systems for advanced photodetector applications.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116391"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145324745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anomalous Seebeck effect in non-Hermitian double quantum dots","authors":"Pengbin Niu ,&nbsp;Li Xu ,&nbsp;Hui Yao ,&nbsp;Hong-Gang Luo","doi":"10.1016/j.physe.2025.116385","DOIUrl":"10.1016/j.physe.2025.116385","url":null,"abstract":"<div><div>We investigate the thermoelectrical transport in a system of non-Hermitian double quantum dots. For that purpose, we set up a model where two quantum dots are experiencing gain and loss of energy and in proximity to two superconductors. By applying Keldysh Green’s function technique, we study the transmission function, conductance as well as the Seebeck coefficient. We calculate the thermoelectric quantities both analytically and numerically and show that a sign change of the Seebeck coefficient can occur when electrons transport through the Andreev bound states forming on the quantum dots. The sign change is induced by the competition of superconducting pairing potential and PT-symmetric complex potential, when the system passes through the exceptional point. These findings may be attractive for the study of quantum thermoelectric effects.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116385"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145267670","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Efficient broadband solar absorber and thermal emitter based on Ti and InAs with pyramid-like structure","authors":"Kang An ,&nbsp;Mengsi Liu ,&nbsp;Hua Yang ,&nbsp;Zao Yi ,&nbsp;Chaojun Tang ,&nbsp;Juan Deng ,&nbsp;Junqiao Wang ,&nbsp;Boxun Li","doi":"10.1016/j.physe.2025.116377","DOIUrl":"10.1016/j.physe.2025.116377","url":null,"abstract":"<div><div>This paper innovatively proposes a broadband solar absorber and thermal emitter with dual-function integration, achieving breakthroughs in the fields of photothermal conversion and high-temperature thermal emission through three core innovations. First, it integrates high-temperature-resistant metal titanium (Ti) and semiconductor indium arsenide (InAs) into a gradient-like pyramid structure for the first time—this design breaks the limitations of single-material systems (InAs has a narrow intrinsic absorption bandwidth, and pure Ti suffers from insufficient radiation stability). Second, a novel triple-resonance mechanism is developed to realize multi-scale light manipulation: Mie resonance at the pyramid apex enables high-efficiency absorption of ultraviolet-near-infrared (UV-NIR) light, Fabry-Perot cavities in the gaps trap mid-infrared light, and plasmonic-semiconductor coupling at the Ti/InAs interface achieves a 3–5-fold enhancement of the local electric field. Third, the symmetric structure ensures polarization independence and incident angle insensitivity, addressing the issue of performance degradation of traditional absorbers under oblique incidence. Finite Difference Time Domain (FDTD) simulations combined with preliminary experimental verification confirm the excellent performance of this design: the broadband average absorption rate in the 280–3000 nm range reaches 99.06 %, and the weighted average absorption efficiency under AM1.5 conditions is 99.02 % with a solar energy loss of only 0.98. It maintains high radiation efficiency at high temperatures: 97.15 % at 1000 K and 97.77 % at 1200 K (benefiting from the high-temperature stability of Ti (melting point: 1668 °C) and the enhanced high-temperature carrier excitation of InAs). Even when the incident angle increases from 0° to 60°, the weighted average absorption efficiency of transverse electric (TE) waves and transverse magnetic (TM) waves remains &gt;91.05 %, outperforming similar symmetric structure. This study realizes the integration of ultra-broadband absorption, high-temperature stable emission, and angle/polarization insensitivity, providing a new paradigm for high-performance solar energy collection and photothermal conversion systems.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116377"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145097121","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Interface-dependent electronic structure and quantum transport in Janus MoSSe/metal junctions: toward low-resistance contacts for 2D nanoelectronics","authors":"Xinzhu Lu ,&nbsp;Huan Wang ,&nbsp;Xiaojie Liu ,&nbsp;Chengbao Yao ,&nbsp;Yin Wang ,&nbsp;Haitao Yin","doi":"10.1016/j.physe.2025.116421","DOIUrl":"10.1016/j.physe.2025.116421","url":null,"abstract":"<div><div>Two-dimensional Janus MoSSe holds promise for next-generation nanoelectronics but suffers from high contact resistance at metal-semiconductor interfaces. Using density functional theory combined with non-equilibrium Green's function calculations, we systematically investigate the facet-dependent electronic and transport properties of 2H-MoSSe interfaced with Ti, Nb₂C, and graphene electrodes. Results reveal that S-terminal contacts exhibit significantly lower contact resistance than Se-terminal counterparts, attributed to reduced tunneling and Schottky barriers through enhanced orbital hybridization. Nb₂C/MoSSe and Ti/MoSSe form ohmic contacts, whereas graphene interfaces exhibit poor performance due to weak coupling. This work demonstrates that S-terminal exposure and strong-interaction electrodes (e.g., Ti, Nb₂C) are critical for minimizing contact resistance, providing a design strategy for high-performance Janus materials-based transistors.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"176 ","pages":"Article 116421"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145615083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anomalous and ultralow axial thermal conductivity in layered XAgO2 (X = K, Rb, Cs) driven by bonding anisotropy and rattling-like vibrations","authors":"Xinrui Li ,&nbsp;Yinchang Zhao ,&nbsp;Pengfei Sui ,&nbsp;Jun Ni ,&nbsp;Zhenhong Dai","doi":"10.1016/j.physe.2025.116400","DOIUrl":"10.1016/j.physe.2025.116400","url":null,"abstract":"<div><div>This paper investigates the lattice thermal conductivity <span><math><msub><mrow><mi>κ</mi></mrow><mrow><mi>L</mi></mrow></msub></math></span> of three novel materials, KAgO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, RbAgO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> and CsAgO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, and systematically analyzes the respective and synergistic effects of the self-consistent phonon (SCP) method, the four-phonon scattering mechanism (4ph), and their coupling on <span><math><msub><mrow><mi>κ</mi></mrow><mrow><mi>L</mi></mrow></msub></math></span>. The results show that the <span><math><msubsup><mrow><mi>κ</mi></mrow><mrow><mn>3</mn><mo>,</mo><mn>4</mn><mspace></mspace><mi>ph</mi></mrow><mrow><mi>SCP</mi></mrow></msubsup></math></span> of CsAgO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> in the <span><math><mi>a</mi></math></span> axis direction at 300 K is as low as 0.967 W/mK, significantly lower than that of most traditional thermoelectric materials. The <span><math><msubsup><mrow><mi>κ</mi></mrow><mrow><mn>3</mn><mo>,</mo><mn>4</mn><mspace></mspace><mi>ph</mi></mrow><mrow><mi>SCP</mi></mrow></msubsup></math></span> along the <span><math><mi>c</mi></math></span> axis deviates from the Slack empirical model, attributed to the larger radius and stronger ionic nature of Cs atoms, which enhance interlayer polarization and thereby improve phonon propagation in this direction. In addition, all three materials exhibit rattling-like behavior along the <span><math><mi>b</mi></math></span> and <span><math><mi>c</mi></math></span> axes, while CsAgO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> uniquely displays an abnormal mean square displacement (MSD) distribution along the <span><math><mi>a</mi></math></span> axis, primarily due to its layered crystal structure and distinct local bonding environment.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116400"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145416879","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unraveling Mn intercalation and diffusion in NbSe2 bilayers through DFTB simulations","authors":"Bruno Ipaves ,&nbsp;Raphael B. de Oliveira ,&nbsp;Guilherme da Silva Lopes Fabris ,&nbsp;Matthias Batzill ,&nbsp;Douglas S. Galvão","doi":"10.1016/j.physe.2025.116355","DOIUrl":"10.1016/j.physe.2025.116355","url":null,"abstract":"<div><div>Understanding transition metal atoms’ intercalation and diffusion behavior in two-dimensional (2D) materials is essential for optimizing their performance in emerging applications. In this study, we used density functional tight binding (DFTB) simulations to investigate the atomic-scale mechanisms of manganese (Mn) intercalation into NbSe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> bilayers. Our results show that Mn prefers intercalated and embedded positions rather than surface adsorption, as cohesive energy calculations indicate enhanced stability in these configurations. Nudged elastic band (NEB) calculations revealed an energy barrier of 0.68 eV for the migration of Mn into the interlayer, comparable to other substrates, suggesting accessible diffusion pathways. Molecular dynamics (MD) simulations further demonstrated an intercalation concentration-dependent behavior. Mn atoms initially adsorb on the surface and gradually diffuse inward, resulting in an effective intercalation at higher Mn densities before clustering effects emerge. These results provide helpful insights into the diffusion pathways and stability of Mn atoms within NbSe<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> bilayers, consistent with experimental observations and offering a deeper understanding of heteroatom intercalation mechanisms in transition metal dichalcogenides.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116355"},"PeriodicalIF":2.9,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145106895","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}