Zeitschriftenartikel: „Platinum diselenide (PtSe₂)“

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Wang, Mengjing, Mashiyat Sumaiya Shawkat, Zheng Xi, Xiaohu Xia, Kyu Seung Lee, Dong Ick Son, Tae-Sung Bae, Hyeon Ih Ryu, Hee-Suk Chung und Yeonwoong Jung. „Controllable synthesis of platinum diselenide (PtSe2) inorganic fullerene“. Journal of Materials Chemistry A 8, Nr. 36 (2020): 18925–32. http://dx.doi.org/10.1039/d0ta06846b.

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Cui, Na, Feng Zhang, Yuqing Zhao, Yongping Yao, Qiangguo Wang, Lulu Dong, Huiyun Zhang, Shande Liu, Jinlong Xu und Han Zhang. „The visible nonlinear optical properties and passively Q-switched laser application of a layered PtSe2 material“. Nanoscale 12, Nr. 2 (2020): 1061–66. http://dx.doi.org/10.1039/c9nr08980b.

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Yang, Yajie, Sung Kyu Jang, Haeju Choi, Jiao Xu und Sungjoo Lee. „Homogeneous platinum diselenide metal/semiconductor coplanar structure fabricated by selective thickness control“. Nanoscale 11, Nr. 44 (2019): 21068–73. http://dx.doi.org/10.1039/c9nr07995e.

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Exploiting the layer-dependent semiconductor-to-semimetal transition property, a PtSe₂ device with homogeneous coplanar structure demonstrate high mobility and extremely low contact resistance.

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Su, Teng-Yu, Yu-Ze Chen, Yi-Chung Wang, Shin-Yi Tang, Yu-Chuan Shih, Faliang Cheng, Zhiming M. Wang, Heh-Nan Lin und Yu-Lun Chueh. „Highly sensitive, selective and stable NO2 gas sensors with a ppb-level detection limit on 2D-platinum diselenide films“. Journal of Materials Chemistry C 8, Nr. 14 (2020): 4851–58. http://dx.doi.org/10.1039/c9tc05747a.

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Wang, Lei, Saifeng Zhang, Niall McEvoy, Yi‐yang Sun, Jiawei Huang, Yafeng Xie, Ningning Dong et al. „Platinum Diselenide: Nonlinear Optical Signatures of the Transition from Semiconductor to Semimetal in PtSe 2 (Laser Photonics Rev. 13(8)/2019)“. Laser & Photonics Reviews 13, Nr. 8 (August 2019): 1970033. http://dx.doi.org/10.1002/lpor.201970033.

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Tiwari, Rashmi, Sachin Singh, R. K. Yadav, Pooja Lohia und D. K. Dwivedi. „Improved Performance of Platinum Diselenide Based Surface Plasmon Resonance Biosensor Using Silicon“. Sensor Letters 18, Nr. 9 (01.09.2020): 711–18. http://dx.doi.org/10.1166/sl.2020.4279.

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After the discovery of graphene in 2004, two-dimensional materials have attracted attention at large scale because of their peculiar structure and extraordinary properties. As they have large potential in future nano electronics, two-dimensional transition metal dichalcogenides has become most focus topic of study. Transition metal dichalcogenides with tunable finite band gap and significant transitional behavior are much suitable for the construction of electronic and optoelectronic devices of high-performance. However, platinum diselenide is group-10 transition metal dichalcogenides which occur naturally in one phase transition, which has been theoretically predicted as an excellent material. The proposed structure of surface plasmon resonance (SPR) -based biosensor consists of a silicon and two-dimensional nanomaterial platinum diselenide. The performance parameters of proposed biosensor (surface plasmon resonance-based) such as detection accuracy, figure of merit, sensitivity, full width at half maximum have been investigated. The sensitivity, detection accuracy, full width half maximum and figure of merit of proposed surface plasmon resonance biosensor having silver (50 nm), silicon (2 nm) and one layer of platinum diselenide with 2 nm thickness at 633 nm wavelength is 2200RIU–1 , 0.20 deg–1, 4.980 and 44.22 RIU–1 respectively. Silicon sheet is used in the middle of the Ag and platinum diselenide to prevent the oxidation of silver and enhance the sensitivity of platinum diselenide based surface plasmon resonance biosensor. The sensitivity of conventional surface plasmon resonance biosensor and the proposed surface plasmon resonance biosensor without silicon layer is 1700RIU–1 and 2000RIU–1 respectively. Surface plasmon resonance biosensor of device structure CaF2/Ag/Si/PtSe2 has higher sensitivity in comparison to device structures CaF2/Ag (conventional) and CaF2/Ag/PtSe2 (without Silicon Layer) by 29.41% and 10% respectively. Although the highest sensitivity obtained is 2620RIU–1 for 60 nm silver with 3 nm silicon layer except the platinum diselenide layer.

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Dionisiev, Irnik, Vera Marinova, Krastyo Buchkov, Hristosko Dikov, Ivalina Avramova und Dimitre Dimitrov. „Synthesis and Characterizations of 2D Platinum Diselenide“. Materials Proceedings 2, Nr. 1 (07.05.2020): 22. http://dx.doi.org/10.3390/ciwc2020-06815.

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Platinum diselenide (PtSe2), which belongs to the transition metals dichalcogenide (TMDCs) class of 2D materials, is characterized with a transition from semimetal to semiconductor with a thickness variation from bulk to monolayer and found in versatile applications especially in sensors and mid-infrared detectors. In this study we report the large-scale synthesis of PtSe2 layers by thermally assisted selenization of pre-deposited platinum films in a horizontal quartz-tube Chemical Vapor Deposition (CVD) reactor. Raman spectroscopy, X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) are used for characterization of the obtained 2D PtSe2. It is observed that the Raman spectra of PtSe2 show strong dependence on the thickness (Pt deposition time). XPS analysis was applied to examine the chemical compositions in order to assess the quality of the synthesized PtSe2 films. All the studied properties reveal great potential to obtain continuous layers with a controlled thickness and composition and further potential for integration in functional heterostructures for future nanoelectronic and optoelectronic devices.

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Reyntjens, Peter D., Sabyasachi Tiwari, Maarten L. Van de Put, Bart Sorée und William G. Vandenberghe. „Ab-Initio Study of Magnetically Intercalated Platinum Diselenide: The Impact of Platinum Vacancies“. Materials 14, Nr. 15 (27.07.2021): 4167. http://dx.doi.org/10.3390/ma14154167.

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We study the magnetic properties of platinum diselenide (PtSe2) intercalated with Ti, V, Cr, and Mn, using first-principle density functional theory (DFT) calculations and Monte Carlo (MC) simulations. First, we present the equilibrium position of intercalants in PtSe2 obtained from the DFT calculations. Next, we present the magnetic groundstates for each of the intercalants in PtSe2 along with their critical temperature. We show that Ti intercalants result in an in-plane AFM and out-of-plane FM groundstate, whereas Mn intercalant results in in-plane FM and out-of-plane AFM. V intercalants result in an FM groundstate both in the in-plane and the out-of-plane direction, whereas Cr results in an AFM groundstate both in the in-plane and the out-of-plane direction. We find a critical temperature of <0.01 K, 111 K, 133 K, and 68 K for Ti, V, Cr, and Mn intercalants at a 7.5% intercalation, respectively. In the presence of Pt vacancies, we obtain critical temperatures of 63 K, 32 K, 221 K, and 45 K for Ti, V, Cr, and Mn-intercalated PtSe2, respectively. We show that Pt vacancies can change the magnetic groundstate as well as the critical temperature of intercalated PtSe2, suggesting that the magnetic groundstate in intercalated PtSe2 can be controlled via defect engineering.

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Jia, Yue, Zhongfu Li, Haiqi Wang, Muhammad Saeed und Houzhi Cai. „Sensitivity Enhancement of a Surface Plasmon Resonance Sensor with Platinum Diselenide“. Sensors 20, Nr. 1 (24.12.2019): 131. http://dx.doi.org/10.3390/s20010131.

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The extraordinary optoelectronic properties of platinum diselenide (PtSe2), whose structure is similar to graphene and phosphorene, has attracted great attention in new rapidly developed two-dimensional (2D) materials beyond the other 2D material family members. We have investigated the surface plasmon resonance (SPR) sensors through PtSe2 with the transfer matrix method. The simulation results show that the anticipated PtSe2 biochemical sensors have the ability to detect analytic. It is evident that only the sensitivities of Ag or Au film biochemical sensors were observed at 118°/RIU (refractive index unit) and 130°/RIU, whereas the sensitivities of the PtSe2-based biochemical sensors reached as high as 162°/RIU (Ag film) and 165°/RIU (Au film). The diverse biosensor sensitivities with PtSe2 suggest that this kind of 2D material can adapt SPR sensor properties.

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Di Bartolomeo, Antonio, Francesca Urban, Enver Faella, Alessandro Grillo, Aniello Pelella, Filippo Giubileo, Niall McEvoy, Farzan Gity und Paul Kennedy Hurley. „Electrical Conduction and Photoconduction in PtSe2 Ultrathin Films“. Materials Proceedings 4, Nr. 1 (10.11.2020): 28. http://dx.doi.org/10.3390/iocn2020-07814.

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We report the characterization of back-gated field-effect transistors fabricated using platinum diselenide () ultrathin films as a channel. We perform a detailed study of the electrical conduction as well as of the photoconductivity. From the gate modulation of the channel current, we obtain the signature of p-type semiconducting conduction with carrier mobility of about 30 cm2 V−1 s−1. More interestingly, devices exposed to light, either in air and in vacuum, exhibit negative photoconductivity, which we explain by a photogating effect due to charge trapping in the gate dielectric and light-induced desorption of adsorbates.

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Daws, Sawsan, Parth Kotak, Chia-Nung Kuo, Chin Shan Lue, Antonio Politano und Caterina Lamuta. „Platinum diselenide PtSe2: An ambient-stable material for flexible electronics“. Materials Science and Engineering: B 283 (September 2022): 115824. http://dx.doi.org/10.1016/j.mseb.2022.115824.

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Klebl, Lennart, Qiaoling Xu, Ammon Fischer, Lede Xian, Martin Claassen, Angel Rubio und Dante M. Kennes. „Moiré engineering of spin–orbit coupling in twisted platinum diselenide“. Electronic Structure 4, Nr. 1 (14.02.2022): 014004. http://dx.doi.org/10.1088/2516-1075/ac49f5.

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Abstract We study the electronic structure and correlated phases of twisted bilayers of platinum diselenide using large-scale ab initio simulations combined with the functional renormalization group. PtSe2 is a group-X transition metal dichalcogenide, which hosts emergent flat bands at small twist angles in the twisted bilayer. Remarkably, we find that Moiré engineering can be used to tune the strength of Rashba spin–orbit interactions, altering the electronic behavior in a novel manner. We reveal that an effective triangular lattice with a twist-controlled ratio between kinetic and spin–orbit coupling (SOC) scales can be realized. Even dominant SOC can be accessed in this way and we discuss consequences for the interaction driven phase diagram, which features pronounced exotic superconducting and entangled spin-charge density waves.

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Han, Jing, Yingwei Wang, Jun He, Hua Lu, Xiangping Li, Min Gu und Yinan Zhang. „Fabry–Perot cavity enhanced three-photon luminescence of atomically thin platinum diselenide“. Nanoscale, 2021. http://dx.doi.org/10.1039/d1nr00348h.

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Three-photon luminescence of PtSe₂ atomic layers was observed for the first time with an enhancement factor of six times by means of the Fabry–Perot cavity resonance, holding promise for nonlinear optical imaging and encryption applications.

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Chu, Lingrui, Ziqi Li, Han Zhu, Hengyue Lv und Feng Chen. „Intense second-harmonic generation in two-dimensional PtSe₂“. Nanophotonics, 22.04.2024. http://dx.doi.org/10.1515/nanoph-2024-0107.

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Abstract Platinum diselenide (PtSe2), classified as a noble metal dichalcogenide, has garnered substantial interest owing to its layer-dependent band structure, remarkable air-stability, and high charge-carrier mobilities. These properties make it highly promising for a wide array of applications in next-generation electronic and optoelectronic devices, as well as sensors. Additionally, two-dimensional (2D) PtSe2 demonstrates significant potential as a saturable absorber due to its exceptional nonlinear optical response across an ultrabroad spectra range, presenting exciting opportunities in ultrafast and nonlinear photonics. In this work, we explore the second-order nonlinear optical characteristics of 2D PtSe2 by analyzing its second-harmonic generation (SHG) excited by a pulsed laser at 1064 nm. Our investigation unveils a layer-dependent SHG response in PtSe2, with prominent SHG intensity observed in few-layer PtSe2. The distinct six-fold polarization dependence pattern observed in the SHG intensity reflects the inherent threefold rotational symmetry inherent to the PtSe2 crystal structure. Remarkably, the SHG intensity of 4-layer PtSe2 surpasses that of mechanically exfoliated monolayer molybdenum disulfide (MoS2) by approximately two orders of magnitude (60-fold), underscoring its exceptional second-order nonlinear optical response. Combined with its ultrahigh air-stability, these distinctive nonlinear optical characteristics position two-dimensional PtSe2 as a promising candidate for ultrathin nonlinear nanophotonic devices.

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Hao, Bing, Manyuan Gan, Jingjing Guo, Guoshen Li, Yanhui Song, Yongqing Shen, Bingshe Xu, Peizhi Liu und Junjie Guo. „Constructing 2D PtSe₂/PtCo Heterojunctions by Partial Selenization for Enhanced Hydrogen Evolution“. Advanced Functional Materials, 26.10.2024. http://dx.doi.org/10.1002/adfm.202413916.

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AbstractThe rational design and fabrication of 2D heterojuctions are proven a promising strategy for boosting the performance of electrocatalysts. Although 2D platinum diselenide (PtSe2) exhibits catalytic activity for hydrogen evolution reaction (HER), the catalytic performance is still unsatisfactory due to its inert basal plane, wide bandgap, and poor electron transfer ability. Herein, a new strategy is reported to construct PtSe2/PtCo heterojunctions by partial selenization of PtCo alloy for high‐efficiency HER electrocatalyst, which exhibits a low overpotential of 38 mV at the current density of 10 mA cm−2, a small Tafel slope of 22 mV dec−1, and a superior stability over 24 h and 1000 cycles. The outstanding HER activity of the catalyst arises from the strong electronic interactions between PtSe2 and PtCo in the heterojunctions, which induce electron transferring from PtSe2 to PtCo and the d‐band center down shifting, and thus optimize the H* adsorption/desorption. This work provides a novel strategy for constructing highly efficient heterostructure electrocatalysts, which facilitates the applications of hydrogen energy conversion.

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Li, Zechen, Honglin Wang, Huaipeng Wang, Yunpeng Ma, Fangzhu Qing, Xuesong Li, Qian Li, Dan Xie und Hongwei Zhu. „Janus Doping of Sulfur into Platinum Diselenide Ribbons“. Small Methods, 23.08.2024. http://dx.doi.org/10.1002/smtd.202400892.

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Abstract2D platinum diselenide (PtSe2), a novel member of the transition metal dichalcogenides (TMDCs) family, possesses many excellent properties, including a layer‐dependent bandgap, high carrier mobility, and broadband response, making it promise for applications in technologies like field‐effect transistors and room‐temperature photodetectors. Doping represents an effective method to modify the electrical properties of 2D TMDCs and to bestow upon them additional functions. However, to date, little research has been conducted on the successful doping of 2D PtSe2 for modification. In this study, sulfur (S) powder is utilized during the chemical vapor deposition growth process of 2D PtSe2 ribbons and successfully integrated into the PtSe2 lattice through substitutional doping. The Au substrate significantly decreases the substitution energy of Se atoms in the lower layer of PtSe2, resulting in the formation of the Janus PtSSe structure. S‐doped PtSe2 ribbons demonstrate significant symmetry breaking and enhanced electrical properties, showcasing a strong nonlinear optical response and certain synaptic plasticity, further simulating some neuromorphological processes. This study not only demonstrates a viable method for controllable doping and modification of 2D PtSe2 but also establishes a platform for exploring the characteristics of Janus TMDCs.

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Oliveira, Filipa M. M., Iryna Danylo, Vlastimil Mazanek, Martin Vesely, Rui Gusmão und Zdenek Sofer. „PtSe2 on a reduced graphene foil for the alkaline hydrogen evolution reaction“. Materials Advances, 2022. http://dx.doi.org/10.1039/d2ma00190j.

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Reducing energy consumption during the hydrogen evolution reaction (HER) in the electrocatalytic water splitting for hydrogen production is still a challenge. Among the transition metal dichalcogenides (TMDs) family, platinum diselenide...

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Gong, Youning, Zhitao Lin, Yue-Xing Chen, Qasim Khan, Cong Wang, Bin Zhang, Guohui Nie, Ni Xie und Delong Li. „Two-Dimensional Platinum Diselenide: Synthesis, Emerging Applications, and Future Challenges“. Nano-Micro Letters 12, Nr. 1 (27.08.2020). http://dx.doi.org/10.1007/s40820-020-00515-0.

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AbstractIn recent years, emerging two-dimensional (2D) platinum diselenide (PtSe2) has quickly attracted the attention of the research community due to its novel physical and chemical properties. For the past few years, increasing research achievements on 2D PtSe2 have been reported toward the fundamental science and various potential applications of PtSe2. In this review, the properties and structure characteristics of 2D PtSe2 are discussed at first. Then, the recent advances in synthesis of PtSe2 as well as their applications are reviewed. At last, potential perspectives in exploring the application of 2D PtSe2 are reviewed.

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„Cover Picture“. EcoMat 5, Nr. 8 (August 2023). http://dx.doi.org/10.1002/eom2.12237.

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A solution‐based electrochemically driven molecular intercalation exfoliation has been developed by Cho et al., to produce wafer‐scale films of platinum diselenide (PtSe2) with layer‐dependent controlled electronic properties. Semiconducting or semimetallic PtSe2 nanosheets were separated using centrifugation‐based thickness classification. Semiconducting nanosheets were used to fabricate gate‐tunable photodetector arrays for visible and near‐infrared light, and semimetallic films served as catalytic electrodes for long‐term stable water splitting. image

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Lee, Kangho, Beata M. Szydłowska, Oliver Hartwig, Kevin Synnatschke, Bartlomiej Tywoniuk, Tomáš Hartman, Tijana Tomašević-Ilić et al. „Highly conductive and long-term stable films from liquid-phase exfoliated platinum diselenide“. Journal of Materials Chemistry C, 2023. http://dx.doi.org/10.1039/d2tc03889g.

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Chu, Lingrui, Han Zhu, Hengyue Lv, Saulius Juodkazis und Feng Chen. „Self-assembly plasmonic gold nanoribbons on few-layer PtSe2 under femtosecond laser irradiation“. Applied Physics Letters 124, Nr. 13 (25.03.2024). http://dx.doi.org/10.1063/5.0199426.

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Functional two-dimensional (2D) materials have been extensively explored for a wide range of applications such as energy generation, low-power computing, and biosensing. In this work, we present an approach involving the integration of six-layer platinum diselenide (PtSe2) as an interlayer between the thin gold film and SiO2 substrate to induce spontaneous formation of plasmonic nanostructures (nanoribbons) on the upper gold film (∼8 nm) under 1030 nm femtosecond laser irradiation. The formation of periodic nanostructures is attributed to the periodic energy deposition that occurs in the PtSe2 layers under intense femtosecond laser pulses. Notably, the self-assembled gold nanostructures exhibit a distinctive polarization-dependent plasmonic response in the near-infrared spectral region and could be directly fabricated in a centimeter scale within several minutes. This straightforward method for self-assembling plasmonic nanostructures using layered materials may expand the utility of functional 2D materials and advance the cost-effective and large-area fabrication of plasmonic thin-film nanostructures in a simplified manner.

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Amairi, Rania, Adlen Smiri und Sihem Jaziri. „Layer-number and strain effects on the structural and electronic properties of PtSe2 material“. Journal of Physics: Condensed Matter, 14.10.2024. http://dx.doi.org/10.1088/1361-648x/ad8697.

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Abstract Bandgap engineering of low-dimensional materials forms a robust basis for advancements in optoelectronic technologies. Platinum diselenide (PtSe2) material exhibits a transition from semi-metal to semiconductor (SM-SC) when going from bulk to monolayer (ML). In this work, density functional theory (DFT) with various van der Waals (vdW) corrections has been tested to study the effect of the layer-number on the structural and electronic properties of the PtSe2 material. The considered vdW corrections gave different results regarding the number of layers at which the SM-SC transition occurs. This variation is due to the different interlayer distances found for each correction, revealing the sensitivity of the bandgap to this distance in addition to the layer number. In fact, the bandgap increases with the increasing of the interlayer distance, due to the energy shift of conduction and valence bands dominated by Se-p_z orbitals. According to the comparison with the available experimental data, the vdW corrections vdW-DF and rVV10 gave the most accurate results. Moreover, the control of the interlayer distance via vertical compressive strain led to the bandgap tuning of semiconductor PtSe2 BL. Indeed, a semi-metal character of PtSe2 BL can be obtained under 17% vertical strain. Our work shows a deep understanding of the correlation between the structural and electronic properties, and thus a possibility to tune the bandgap by strain means.

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Huang, Yujie, Yinlong Tan, Yan Kang, Weiqiang Ding, Yuhua Tang und Tian Jiang. „All‐Optically Triggered In‐Sensor Collision Detection and Warning Based on 2D Complementary Material Devices“. Advanced Functional Materials, 07.05.2024. http://dx.doi.org/10.1002/adfm.202402677.

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AbstractPrecise and timely collision detection and warning are essential to ensure the safety of autonomous driving. However, existing collision detection systems based on image sensors and radars are prone to misjudgment in adverse environments such as darkness or rain. The lobula giant movement detector (LGMD) neuron found in locusts achieves potential collision detection in unpredictable environments without the need for object recognition algorithms. Existing artificial collision detectors inspired by LGMD suffer from complex device structures and sophisticated operating modes. Here, an LGMD‐inspired all‐optically triggered in‐sensor collision detector is presented by 2D complementary material devices (2D‐CMDs) composed of n‐type molybdenum disulfide (MoS2) and p‐type platinum diselenide (PtSe2) connected in series. The proposed 2D‐CMDs couple the positive photoconductivity of MoS2 and negative photoconductivity of PtSe2 in response to looming light, successfully mimicking the antagonism of excitatory and inhibitory responses in LGMD neurons to generate a nonmonotonic escape response. The 2D‐CMDs exhibit a simple device structure and all‐optically controlled operation mode, consuming only 1 nJ of energy for each collision detection. Furthermore, in‐sensor real‐time collision warning is realized by employing a Recurrent Neural Network (RNN) to predict alarm time based on the escape response of the proposed 2D‐CMDs.

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Kumar, Rajeev, Sajal Agarwal, Narendra Pal, Sarika Pal und Yogendra Kumar Prajapati. „Platinum diselenide (PtSe2) Mediated Heterostructure Based SPR Sensor for the Detection of Formalin: A Theoretical Analysis“. Physica Scripta, 12.12.2024. https://doi.org/10.1088/1402-4896/ad9e46.

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Abstract Formalin adulteration and mixing is a serious problem in tropical countries because of its adverse impact on human health. In current study, SPR based sensor is designed and modelled analytically to achieve the maximum sensitivity with good selectivity. To achieve this, a heterostructure of (BP/PtSe2/BP) in SPR sensor has played significant role to enhance the sensor performance due to their better charge carrier confinement and high charge carrier transfer efficiency to metal interface. Analysed designs ensures the maximum sensitivity of 273.05 °/RIU and detection accuracy of 0.204 /°. Distribution of electric field is also estimated to analyse the field enhancement at the interfaces of several material layers. Penetration depth (PD) of 190.94 nm indicating distance between positions from peak field intensity to 37% strength of the maximum electric field intensity is achieved. The proposed sensor demonstrates the potential for detection of formalin in food industry.

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Calogero, Gaetano, Damiano Marian, Enrique G. Marin, Gianluca Fiori und Giuseppe Iannaccone. „Physical insights on transistors based on lateral heterostructures of monolayer and multilayer PtSe2 via Ab initio modelling of interfaces“. Scientific Reports 11, Nr. 1 (16.09.2021). http://dx.doi.org/10.1038/s41598-021-98080-y.

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AbstractLateral heterostructures (LH) of monolayer-multilayer regions of the same noble transition metal dichalcogenide, such as platinum diselenide (PtSe2), are promising options for the fabrication of efficient two-dimensional field-effect transistors (FETs), by exploiting the dependence of the energy gap on the number of layers and the intrinsically high quality of the heterojunctions. Key for future progress in this direction is understanding the effects of the physics of the lateral interfaces on far-from-equilibrium transport properties. In this work, a multi-scale approach to device simulation, capable to include ab-initio modelling of the interfaces in a computationally efficient way, is presented. As an application, p- and n-type monolayer-multilayer PtSe2 LH-FETs are investigated, considering design parameters such as channel length, number of layers and junction quality. The simulations suggest that such transistors can provide high performance in terms of subthreshold characteristics and switching behavior, and that a single channel device is not capable, even in the ballistic defectless limit, to satisfy the requirements of the semiconductor roadmap for the next decade, and that stacked channel devices would be required. It is shown how ab-initio modelling of interfaces provides a reliable physical description of charge displacements in their proximity, which can be crucial to correctly predict device transport properties, especially in presence of strong dipoles, mixed stoichiometries or imperfections.

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