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

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Dielectric substrate dependence of thermoelectric transport in BLG-GaAs-BLG heterostructures BLG-GaAs-BLG异质结构中热电输运的介电衬底依赖性
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-09-16 DOI: 10.1016/j.physe.2025.116370
Vo Van Tai , Truong Van Tuan , Tran Trong Tai , Le Tri Dat , Nguyen Duy Vy
{"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":"2025-09-16","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}
引用次数: 0
Stability, elastic and electronic properties of new stable GaP and InP monolayers in biphenylene network: A first-principles investigation 联苯网络中新型稳定GaP和InP单层膜的稳定性、弹性和电子性能:第一性原理研究
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-09-15 DOI: 10.1016/j.physe.2025.116374
Gang Liu, Shengqi Chi, Fengli Cao, Xiaodong Qiu
{"title":"Stability, elastic and electronic properties of new stable GaP and InP monolayers in biphenylene network: A first-principles investigation","authors":"Gang Liu,&nbsp;Shengqi Chi,&nbsp;Fengli Cao,&nbsp;Xiaodong Qiu","doi":"10.1016/j.physe.2025.116374","DOIUrl":"10.1016/j.physe.2025.116374","url":null,"abstract":"<div><div>Based on first-principles calculations, this work predicts two novel inorganic monolayers in biphenylene network: buckled GaP and InP monolayers. The energetic, mechanical, dynamical, and thermal stabilities were confirmed via DFT and AIMD calculations. The calculated in-plane Young's modulus and Poisson's ratio of GaP are 33.4 (15.7) N/m and 0.0 (0.0), while those of InP are 25.3 (11.5) N/m and 0.2 (0.1), showing the anisotropic mechanical property. It is noted GaP monolayer is a zero Poisson's ratio material. The GaP and InP monolayers are found to be indirect and direct semiconductors, with the band gap of 2.46 and 2.40 eV at HSE06 level. And the high electron mobilities of InP monolayer (exceed <span><math><mrow><msup><mn>10</mn><mn>3</mn></msup><mspace></mspace><mi>c</mi><msup><mi>m</mi><mn>2</mn></msup><msup><mi>V</mi><mrow><mo>−</mo><mn>1</mn></mrow></msup><msup><mi>s</mi><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span>) are found, offering promising potential for the development of electronic and photoelectronic nanodevices.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116374"},"PeriodicalIF":2.9,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145097120","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}
引用次数: 0
Doping-driven physical properties and electronic transition in 2D transition metal dichalcogenides Mo1-XAXS2 (A= [Nb, V], X = 0.25, 0.50, 0.75, 1.00): A First principle study 掺杂驱动二维过渡金属Mo1-XAXS2 (A= [Nb, V], X = 0.25, 0.50, 0.75, 1.00)的物理性质和电子跃迁:第一原理研究
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-09-12 DOI: 10.1016/j.physe.2025.116373
Magaji Ismail , Shuaibu Alhassan , Aliyu Kabiru Isiyaku , Sadik Garba Abdu , Shehu Aminu yamusa
{"title":"Doping-driven physical properties and electronic transition in 2D transition metal dichalcogenides Mo1-XAXS2 (A= [Nb, V], X = 0.25, 0.50, 0.75, 1.00): A First principle study","authors":"Magaji Ismail ,&nbsp;Shuaibu Alhassan ,&nbsp;Aliyu Kabiru Isiyaku ,&nbsp;Sadik Garba Abdu ,&nbsp;Shehu Aminu yamusa","doi":"10.1016/j.physe.2025.116373","DOIUrl":"10.1016/j.physe.2025.116373","url":null,"abstract":"<div><div>First principle density functional theory was employed to investigate the physical properties and electronic transition of doped two-dimensional molybdenum disulphide (MoS<sub>2</sub>) with transition metal niobium (Nb) and vanadium (V) at varying doping concentration. The objective was to study how controlled doping affects the physical characteristics of doped MoS<sub>2</sub>for potential photodetection application. The obtained result reveal that Nb doping leads to progressive lattice expansion and rapid transition from semiconducting to metallic behavior which is attributed larger atomic radius and fewer valence electrons as compared to Mo. While V doping results in slight contraction of the lattice and a more gradual narrowing of the energy gap and retained it semiconducting nature at low and moderate doping concentration. The elastic properties result shows that Nb doping softens the material significantly than V doped which is due to weakened M − S bonding. The Band structure and total density of states analysis confirm the introduction of impurity levels and p-type character in Nb-doped systems, whereas V-doped systems show hybridization near the Fermi level with localized to semi-metallic transitions. These findings demonstrate that V doping offers a more stable and tunable route for enhancing the optoelectronic performance of MoS<sub>2</sub>, making it promising candidate for broadband photodetector.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116373"},"PeriodicalIF":2.9,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145097116","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}
引用次数: 0
Tunable optoelectronic and hydrogen evolution reaction properties of decorated 2D materials (Ga2O3 monolayer, ZnO monolayer and borophene) 修饰二维材料(Ga2O3单层、ZnO单层和硼罗芬)的可调光电和析氢反应性质
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-09-11 DOI: 10.1016/j.physe.2025.116372
Rongzhi Wang , Jin-Cheng Zheng
{"title":"Tunable optoelectronic and hydrogen evolution reaction properties of decorated 2D materials (Ga2O3 monolayer, ZnO monolayer and borophene)","authors":"Rongzhi Wang ,&nbsp;Jin-Cheng Zheng","doi":"10.1016/j.physe.2025.116372","DOIUrl":"10.1016/j.physe.2025.116372","url":null,"abstract":"<div><div>Two-dimensional (2D) materials have received considerable attention for next-generation technological applications due to their unique physical properties. Herein, decorated monolayers (O-V-Ga<sub>2</sub>O<sub>3</sub>-m, Co doped ZnO-m and Fe cluster@Borophene) with high visible light absorption ability and hydrogen evolution reaction (HER) catalytic performance are reported. Strain and electric field could precisely tune the optical and HER properties of O-V-Ga<sub>2</sub>O<sub>3</sub>-m, Co doped ZnO-m and Fe cluster@Borophene. It is shown that the absorption peaks in the visible region red-shift with the increasement of strain or adding electric field. Both strain and electric field can modulate the absorption peaks of decorated monolayers in the visible zone and help to obtain optimal HER performance. These features advocate effective applications of O-V-Ga<sub>2</sub>O<sub>3</sub>-m, Co doped ZnO-m and Fe cluster@Borophene in optoelectronic devices and HER electrocatalysts.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116372"},"PeriodicalIF":2.9,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145047640","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}
引用次数: 0
Electronic structure and transport in materials with flat bands: 2D materials and quasicrystals 平面带材料中的电子结构和输运:二维材料和准晶体
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-09-09 DOI: 10.1016/j.physe.2025.116362
Guy Trambly de Laissardière , Somepalli Venkateswarlu , Ahmed Misssaoui , Ghassen Jemaï , Khouloud Chika , Javad Vahedi , Omid Faizy Namarvar , Jean-Pierre Julien , Andreas Honecker , Laurence Magaud , Jouda Jemaa Khabthani , Didier Mayou
{"title":"Electronic structure and transport in materials with flat bands: 2D materials and quasicrystals","authors":"Guy Trambly de Laissardière ,&nbsp;Somepalli Venkateswarlu ,&nbsp;Ahmed Misssaoui ,&nbsp;Ghassen Jemaï ,&nbsp;Khouloud Chika ,&nbsp;Javad Vahedi ,&nbsp;Omid Faizy Namarvar ,&nbsp;Jean-Pierre Julien ,&nbsp;Andreas Honecker ,&nbsp;Laurence Magaud ,&nbsp;Jouda Jemaa Khabthani ,&nbsp;Didier Mayou","doi":"10.1016/j.physe.2025.116362","DOIUrl":"10.1016/j.physe.2025.116362","url":null,"abstract":"<div><div>In this review, we present recent works on materials whose common point is the presence of electronic bands of very low dispersion, called “flat bands”, which are due to specific atomic order effects without electron interactions. These states are always indicative of some form of confinement and have significant consequences on the electronic structure, transport properties and magnetism of these materials. A first part is devoted to the cases where this confinement is due to the long-range geometry of the defect-free structure. We have thus studied periodic approximant structures of quasiperiodic Penrose and octagonal tilings, and twisted bilayers of graphene or transition metal dichalcogenides (TMDs) whose rotation angle between the two layers assumes a special value, called “magic angle”. In these materials, the flat bands correspond to electronic states distributed over a very large number of atoms (several hundreds or even thousands of atoms) and are very sensitive to small structural distortions such as “heterostrain”. We have shown that their electronic transport properties cannot be described by usual Bloch–Boltzmann theories, because the interband terms of the velocity operator dominate the intraband terms as far as quantum diffusion is concerned. In the case of twisted bilayer graphene, flat bands can induce a magnetic state and other electron–electron correlation effects. The second part focuses on two-dimensional nanomaterials in the presence of local point defects that cause resonant electronic states (vacancies, adsorbed atoms or molecules). We present studies on monolayer graphene, twisted or Bernal bilayer graphene, carbon nanotubes, monolayer and multilayer black phosphorene, and monolayer TMDs. A recent result is the discovery that the selective functionalization of a Bernal bilayer graphene sublattice leads to a metallic or insulating behavior depending on the functionalized sublattice type. This result, which seems to be confirmed by very recent experimental measurements, suggests that functionalization can be a key parameter to control the electronic properties of two-dimensional materials.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116362"},"PeriodicalIF":2.9,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145097117","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}
引用次数: 0
Neuroevolution potential-driven accurate and efficient discovery of Graphene/GaN heterojunctions: From ballistic-diffusive transition to thermal conductivity enhancement 神经进化潜能驱动的石墨烯/氮化镓异质结的准确和有效发现:从弹道扩散转变到导热性增强
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-09-06 DOI: 10.1016/j.physe.2025.116363
DaiJi Tang , YuTao Liu , Han Song , Cheng Deng , Mengyuan Liu , TingHong Gao , Yongchao Liang , Qingquan Xiao , Yunjun Ruan
{"title":"Neuroevolution potential-driven accurate and efficient discovery of Graphene/GaN heterojunctions: From ballistic-diffusive transition to thermal conductivity enhancement","authors":"DaiJi Tang ,&nbsp;YuTao Liu ,&nbsp;Han Song ,&nbsp;Cheng Deng ,&nbsp;Mengyuan Liu ,&nbsp;TingHong Gao ,&nbsp;Yongchao Liang ,&nbsp;Qingquan Xiao ,&nbsp;Yunjun Ruan","doi":"10.1016/j.physe.2025.116363","DOIUrl":"10.1016/j.physe.2025.116363","url":null,"abstract":"<div><div>Two-dimensional gallium nitride (2D GaN) exhibits outstanding potential for next-generation nanoelectronic and optoelectronic devices due to its high electron mobility and tunable electronic properties. Nevertheless, its relatively low thermal conductivity can lead to localized heat accumulation, which adversely affects device performance. A feasible strategy is to construct 2D graphene/GaN heterojunction presents an effective approach to enhance thermal transport. In this paper, we trained neuroevolution potential (NEP) for accurate and efficient calculate of the thermal properties of GaN/Graphene heterojunction, this approach maintains density functional theory (DFT)-level accuracy while significantly improving computational efficiency. The NEP model achieves root-mean-square errors of 10.22 meV/atom, 203.25 meV/Å, and 60.55 meV/atom for energy, force, and virial predictions, respectively. We comprehensively validate the model through phonon dispersion, radial distribution functions, and thermal conductivity analysis. Furthermore, by integrating nonequilibrium molecular dynamics, homogeneous nonequilibrium molecular dynamics, and spectral heat current methods, we resolve the frequency-dependent phonon transport processes and quantitatively capture the transition from ballistic to diffusive regimes. The key finding is that by studying the spectral energy density and phonon lifetime, we have identified the fundamental reason for the significant alteration in the thermal transport mechanism, which graphene introduces a high-frequency channel, fundamentally enhancing the lattice thermal conductivity of the heterojunction.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116363"},"PeriodicalIF":2.9,"publicationDate":"2025-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145020742","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}
引用次数: 0
Charge polarization-driven type-II band alignment and enhanced piezoelectricity in tin nitride halide heterostructures 氮化锡卤化异质结构中电荷极化驱动的ii型带对准和增强的压电性
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-09-06 DOI: 10.1016/j.physe.2025.116358
Arneet Kaur , Pradip Nandi , Abir De Sarkar
{"title":"Charge polarization-driven type-II band alignment and enhanced piezoelectricity in tin nitride halide heterostructures","authors":"Arneet Kaur ,&nbsp;Pradip Nandi ,&nbsp;Abir De Sarkar","doi":"10.1016/j.physe.2025.116358","DOIUrl":"10.1016/j.physe.2025.116358","url":null,"abstract":"<div><div>In the quest for efficient energy conversion materials, we investigate piezoelectric properties of tin nitride halide (SnNX) through strategic design of vertical and lateral SnNCl/SnNBr heterostructures, using first-principles calculations. Two vertical configurations (HB-I and HB-II), based on the choice of the basal atomic layer (SnNBr or SnNCl), are studied with six stacking sequences featuring parallel and antiparallel orientations. The interlayer registry index highlights the dominant role of interface interactions in determining the energy landscape. HB-II configuration exhibits a type-II band alignment for all stacking orders (AA, AB, AC). While only the AC stacking order of HB-I displays a type-II band alignment, which correlates with the reversal in the direction of charge polarization. Lateral heterostructures composed of eight-unit cells of SnNCl and SnNBr [(SnNCl)<sub>8</sub>/(SnNBr)<sub>8</sub>] are also constructed along armchair and zigzag directions, revealing mixed band alignment at the interfaces. A comprehensive analysis indicates that interfacial charge polarization critically determines the piezoelectric response. The out-of-plane piezoelectric strain coefficient, <span><math><mrow><msub><mi>d</mi><mn>33</mn></msub></mrow></math></span> reaches 90 p.m./V in the vertical heterostructure, comparable to leading bulk perovskites. Our findings provide a deeper understanding of band alignment and piezoelectricity in SnNCl/SnNBr heterostructures, paving the way for future experimental efforts to design advanced 2D energy conversion materials with tailored properties.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116358"},"PeriodicalIF":2.9,"publicationDate":"2025-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145061261","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}
引用次数: 0
Adsorption, electronic, and sensing properties of C2H4 on Au/Ag/Cu-graphene: A density functional theory study C2H4在Au/Ag/ cu -石墨烯上的吸附、电子和传感特性:密度泛函理论研究
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-09-05 DOI: 10.1016/j.physe.2025.116361
Weiyin Li , Ruiyong Shang , Hao Feng , Meng Wang , Tongli Wei
{"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 C<sub>2</sub>H<sub>4</sub> gas molecules on Au<sub><em>n</em></sub>/Ag<sub><em>n</em></sub>/Cu<sub><em>n</em></sub> (<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<sub><em>n</em></sub>/Ag<sub><em>n</em></sub>/Cu<sub><em>n</em></sub> (<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 C<sub>2</sub>H<sub>4</sub> on Ag-Gp is physical, and C<sub>2</sub>H<sub>4</sub> is chemically adsorbed on the remaining systems by generating a new chemical bond. The adsorption abilities for the C<sub>2</sub>H<sub>4</sub> molecule are in the following order: Cu-Gp &gt; Au-Gp &gt; Ag-Gp; Au<sub>2</sub>-Gp &gt; Cu<sub>2</sub>-Gp &gt; Ag<sub>2</sub>-Gp; Au<sub>3</sub>-Gp &gt; Cu<sub>3</sub>-Gp &gt; Ag<sub>3</sub>-Gp. Among the clusters studied, the Au<sub>3</sub>-Gp system has the strongest adsorption effect, and the Ag-cluster-loaded graphene shows the least adsorptive capacity for the C<sub>2</sub>H<sub>4</sub> molecule. The Cu-Gp system has the best sensitivity and the Ag-Gp system has the fastest recovery time for C<sub>2</sub>H<sub>4</sub>.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"175 ","pages":"Article 116361"},"PeriodicalIF":2.9,"publicationDate":"2025-09-05","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}
引用次数: 0
Quantum correlations, entanglement spectrum in non-Hermitian Tomonaga–Luttinger liquids 非厄米特Tomonaga-Luttinger液体中的量子相关,纠缠谱
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-09-03 DOI: 10.1016/j.physe.2025.116356
L.S. Lima
{"title":"Quantum correlations, entanglement spectrum in non-Hermitian Tomonaga–Luttinger liquids","authors":"L.S. Lima","doi":"10.1016/j.physe.2025.116356","DOIUrl":"10.1016/j.physe.2025.116356","url":null,"abstract":"<div><div>Open quantum systems that interact with external environment, leading to non-unitary dynamics are a intriguing topic in recent years. The effective Hermitian Hamiltonian has always a higher dimension than the corresponding non-Hermitian model. In this paper, we investigate quantum correlations and entanglement in some one-dimensional non-Hermitian (NH) quantum systems such as non-Hermitian Tomonaga–Luttinger liquids model. We used effective field theory and bosonization, finite-size scaling approach in conformal field theory to verify the effect of non-Hermitian terms or weak dissipation on entanglement measure of mixed state given by the entanglement negativity <span><math><msub><mrow><mi>E</mi></mrow><mrow><mi>N</mi></mrow></msub></math></span>. Moreover, we analyze entanglement in the quenched Luttinger liquid model with non-Hermitian interaction, which yields supersonic modes and dominant superconducting correlations as well as spin-charge separation.</div></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"174 ","pages":"Article 116356"},"PeriodicalIF":2.9,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145004202","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}
引用次数: 0
MXenes for n- and p-type Ohmic contacts with Monolayer MoS2 and WS2: A first-principles study 单层MoS2和WS2的n型和p型欧姆接触的MXenes:第一性原理研究
IF 2.9 3区 物理与天体物理
Physica E-low-dimensional Systems & Nanostructures Pub Date : 2025-09-02 DOI: 10.1016/j.physe.2025.116360
Mengying Zhao , Xiaozhe Zhang , Wenfeng Yu , Hong Li
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