Junia S Solomon, Nada Mrkyvkova, Vojtĕch Kliner, Tatiana Soto-Montero, Ismael Fernandez-Guillen, Martin Ledinský, Pablo P Boix, Peter Siffalovic, Monica Morales-Masis
{"title":"Oriented 2D Ruddlesden-Popper metal halides by pulsed laser deposition.","authors":"Junia S Solomon, Nada Mrkyvkova, Vojtĕch Kliner, Tatiana Soto-Montero, Ismael Fernandez-Guillen, Martin Ledinský, Pablo P Boix, Peter Siffalovic, Monica Morales-Masis","doi":"10.1038/s41699-025-00571-3","DOIUrl":"10.1038/s41699-025-00571-3","url":null,"abstract":"<p><p>Two-dimensional (2D) Ruddlesden-Popper (RP) metal halides present unique and tunable properties. However, direct and oriented synthesis is challenging due to low formation energies that lead to rapid, uncontrolled growth during solution-based processing. Here, we report the solvent-free growth of oriented <i>n</i> = 1 (PEA)<sub>2</sub>PbI<sub>4</sub> RP films by pulsed laser deposition (PLD). In situ photoluminescence (PL) during deposition reveals the formation of the <i>n</i> = 1 phase at the early stages of growth. X-ray diffraction (XRD) and grazing-incidence wide-angle scattering (GIWAXS) confirm a single oriented <i>n</i> = 1 phase, independent of the substrate. Co-localized spatially resolved PL and AFM further validate the conformal growth. While oriented growth is substrate-independent, film stability is not. (PEA)<sub>2</sub>PbI<sub>4</sub> films grown on strained epitaxial MAPbI<sub>3</sub> remain stable for over 184 days without any sign of cation exchange. This work highlights the potential of PLD for direct, room-temperature synthesis of 2D (PEA)<sub>2</sub>PbI<sub>4</sub> RP films and stable 2D/3D heterostructures.</p>","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":"9 1","pages":"50"},"PeriodicalIF":9.1,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12162342/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144302595","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Oran Cassidy, Kevin Synnatschke, Jose M Munuera, Cian Gabbett, Tian Carey, Luke Doolan, Eoin Caffrey, Jonathan N Coleman
{"title":"Layer-by-layer assembly yields thin graphene films with near theoretical conductivity.","authors":"Oran Cassidy, Kevin Synnatschke, Jose M Munuera, Cian Gabbett, Tian Carey, Luke Doolan, Eoin Caffrey, Jonathan N Coleman","doi":"10.1038/s41699-025-00525-9","DOIUrl":"10.1038/s41699-025-00525-9","url":null,"abstract":"<p><p>Thin films fabricated from solution-processed graphene nanosheets are of considerable technological interest for a wide variety of applications, such as transparent conductors, supercapacitors, and memristors. However, very thin printed films tend to have low conductivity compared to thicker ones. In this work, we demonstrate a simple layer-by-layer deposition method which yields thin films of highly-aligned, electrochemically-exfoliated graphene which have low roughness and nanometer-scale thickness control. By optimising the deposition parameters, we demonstrate films with high conductivity (1.3 × 10<sup>5 </sup>S/m) at very low thickness (11 nm). Finally, we connect our high conductivities to low inter-nanosheet junction resistances (R<sub>J</sub>), which we estimate at R<sub>J</sub> ~ 1kΩ.</p>","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":"9 1","pages":"2"},"PeriodicalIF":9.1,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11711095/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142971735","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Elucidating the role of stacking faults in TlGaSe<sub>2</sub> on its thermoelectric properties.","authors":"Tigran Simonian, Ahin Roy, Akash Bajaj, Rui Dong, Zheng Lei, Zdeněk Sofer, Stefano Sanvito, Valeria Nicolosi","doi":"10.1038/s41699-025-00569-x","DOIUrl":"10.1038/s41699-025-00569-x","url":null,"abstract":"<p><p>Thermoelectric materials are of great interest for heat energy harvesting applications. One such promising material is TlGaSe<sub>2</sub>, a 2D-layered, <i>p</i>-type semiconducting ternary chalcogenide. Recent reports show it can be processed as a thin film, opening the door for large-scale commercialization. However, TlGaSe<sub>2</sub> is prone to stacking faults along the [001] stacking direction and their role in its thermoelectric properties has not yet been understood. Herein, TlGaSe<sub>2</sub> is investigated via (scanning) transmission electron microscopy and first-principles calculations. Stacking faults are found to be present throughout the material, as density functional theory calculations reveal a low stacking fault energy of ~12 mJ m<sup>-2</sup>. Electron transport calculations show an enhancement of thermoelectric power factors when stacking faults are present. This implies the presence of stacking faults is key to the material's excellent thermoelectric properties along the [001] stacking direction, which can be further enhanced by doping the material to carrier concentrations of ~10<sup>19 </sup>cm<sup>-3</sup>.</p>","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":"9 1","pages":"46"},"PeriodicalIF":9.1,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12143981/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144248914","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Huaiyu Ge, Peter Koopmann, Filip Mrcarica, Otto T P Schmidt, Ilan Bouquet, Mauro Dossena, Mathieu Luisier, Jiang Cao
{"title":"Ab initio simulation of spin-charge qubits based on bilayer graphene-WSe<sub>2</sub> quantum dots.","authors":"Huaiyu Ge, Peter Koopmann, Filip Mrcarica, Otto T P Schmidt, Ilan Bouquet, Mauro Dossena, Mathieu Luisier, Jiang Cao","doi":"10.1038/s41699-025-00568-y","DOIUrl":"10.1038/s41699-025-00568-y","url":null,"abstract":"<p><p>We propose a spin-charge qubit based on a bilayer graphene and WSe<sub>2</sub> van der Waals heterostructure that together form a quantum dot and demonstrate its functionality from first-principles simulations. Electron and hole confinement as well as electrically controllable spin-orbit coupling (SOC) are modeled by self-consistently solving the Schrödinger and Poisson equations with material parameters extracted from density functional theory as inputs. In both electron and hole quantum dots, we find a two orders of magnitude enhancement of SOC (1.8 meV) compared to intrinsic graphene, in the layer directly adjacent to WSe<sub>2</sub>. Time-dependent investigations of the quantum device reveal rapid qubit gate operation in the order of picoseconds. Our simulations indicate that bilayer graphene and WSe<sub>2</sub> heterostructures provide a promising platform for the processing of quantum information.</p>","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":"9 1","pages":"47"},"PeriodicalIF":9.1,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12158758/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144302594","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
D Panna, R Itzhak, A Kumar, S Bouscher, N Suleymanov, B Minkovich, Z Gan, A George, A Turchanin, I Goykhman, A Hayat
{"title":"Andreev pair injection into a transition metal dichalcogenide monolayer.","authors":"D Panna, R Itzhak, A Kumar, S Bouscher, N Suleymanov, B Minkovich, Z Gan, A George, A Turchanin, I Goykhman, A Hayat","doi":"10.1038/s41699-025-00553-5","DOIUrl":"https://doi.org/10.1038/s41699-025-00553-5","url":null,"abstract":"<p><p>We demonstrate Andreev pair injection across Nb-WS<sub>2</sub> junction evident as Andreev reflection in differential conductivity spectra below Nb critical temperature <math> <msub><mrow><mi>T</mi></mrow> <mrow><mi>c</mi></mrow> </msub> </math> . The superconducting- 2D semiconducting junction defined by a focused ion beam, shaped Nb pads, and semi-dry transfer of single layer CVD-grown WS<sub>2</sub> crystals ensured the mechanical integrity of the 2D TMD film, reduced contamination and defects at Nb-WS<sub>2</sub> junction, enabling the pristine study of the interface and facilitating Andreev pair injection. We observed enhanced conductivity in <math><mrow><mi>dI</mi> <mo>/</mo> <mi>dV</mi></mrow> </math> spectra for junction voltages smaller than the corresponding Nb superconducting gap, which vanishes as the device temperature is increased above the <math> <msub><mrow><mi>T</mi></mrow> <mrow><mi>c</mi></mrow> </msub> </math> . The position and the temperature dependence of the conductivity peaks suggest proximity effect-related phenomena explained by developed modified BTK theory. The presented results are crucial for the future implementation of proximity-based 2D hybrid devices including quantum light sources and superconducting field-effect transistors based on superconductor-semiconductor junctions.</p>","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":"9 1","pages":"36"},"PeriodicalIF":9.1,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12049272/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144029979","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Kiran A. Nirmal, Dhananjay D. Kumbhar, Arul Varman Kesavan, Tukaram D. Dongale, Tae Geun Kim
{"title":"Advancements in 2D layered material memristors: unleashing their potential beyond memory","authors":"Kiran A. Nirmal, Dhananjay D. Kumbhar, Arul Varman Kesavan, Tukaram D. Dongale, Tae Geun Kim","doi":"10.1038/s41699-024-00522-4","DOIUrl":"10.1038/s41699-024-00522-4","url":null,"abstract":"The scalability of two-dimensional (2D) materials down to a single monolayer offers exciting prospects for high-speed, energy-efficient, scalable memristors. This review highlights the development of 2D material-based memristors and potential applications beyond memory, including neuromorphic, in-memory, in-sensor, and complex computing. This review also encompasses potential challenges and future opportunities for advancing these materials and technologies, underscoring the transformative impact of 2D memristors on versatile and sustainable electronic devices and systems.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-27"},"PeriodicalIF":9.1,"publicationDate":"2024-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00522-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875310","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shaojie Zhang, Ye Tao, Shiwei Qin, Dong Li, Kunkun Cao, Lin Lv, Guokun Ma, Yiheng Rao, Houzhao Wan, Wang Hao
{"title":"Memristors based on two-dimensional h-BN materials: synthesis, mechanism, optimization and application","authors":"Shaojie Zhang, Ye Tao, Shiwei Qin, Dong Li, Kunkun Cao, Lin Lv, Guokun Ma, Yiheng Rao, Houzhao Wan, Wang Hao","doi":"10.1038/s41699-024-00519-z","DOIUrl":"10.1038/s41699-024-00519-z","url":null,"abstract":"Memristors offer vast application opportunities in storage, logic devices, and computation due to their nonvolatility, low power consumption, and fast operational speeds. Two-dimensional materials, characterized by their novel mechanisms, ultra-thin channels, high mechanical flexibility, and superior electrical properties, demonstrate immense potential in the domain of high-density, fast, and energy-efficient memristors. Hexagonal boron nitride (h-BN), as a new two-dimensional material, has the characteristics of high thermal conductivity, flexibility, and low power consumption, and has a significant application prospect in the field of memristor. In this paper, the recent research progress of the h-BN memristor is reviewed from the aspects of device fabrication, resistance mechanism, and application prospect.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-25"},"PeriodicalIF":9.1,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00519-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142862441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"First-principles study of the magneto-Raman effect in van der Waals layered magnets","authors":"Xiangru Kong, Panchapakesan Ganesh, Liangbo Liang","doi":"10.1038/s41699-024-00515-3","DOIUrl":"10.1038/s41699-024-00515-3","url":null,"abstract":"Magneto-Raman spectroscopy has been used to study spin-phonon coupling in two-dimensional (2D) magnets. Raman spectra of CrI3 show a strong dependence on the magnetic order within a layer and between the layers. Here we carry out the first systematic theoretical investigation of the magneto-Raman effect in 2D magnets by performing density functional theory calculations and developing a generalized polarizability model. Our first-principles simulations well reproduce experimental Raman spectra of CrI3 with different magnetic states. The model reveals how the change of spin orientation in each layer is coupled to the layer’s vibration to induce or eliminate the spin-dependent anti-symmetric off-diagonal terms in the Raman tensor for altering the selection rules. We also uncover that the correlation between phonon modes and magnetic orders is a universal phenomenon, which should exist in other phonon modes and 2D magnets. Our predictive simulations and modeling are expected to guide the research in 2D magnets.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-10"},"PeriodicalIF":9.1,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00515-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142862440","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Asif A. Shah, Aadil Bashir Dar, Mayank Shrivastava
{"title":"Revisiting the origin of non-volatile resistive switching in MoS2 atomristor","authors":"Asif A. Shah, Aadil Bashir Dar, Mayank Shrivastava","doi":"10.1038/s41699-024-00518-0","DOIUrl":"10.1038/s41699-024-00518-0","url":null,"abstract":"Recently, Non-Volatile Resistive Switching (NVRS) has been demonstrated in Metal-monolayer MoS2-Metal atomristors. While experiments based on Au metal report the origin of NVRS to be extrinsic, caused by the Au atom adsorption into sulfur vacancies, however, more recently molecular dynamics based on reactive forcefield (ReaxFF) suggest that both monolayer and multilayer MoS2 can also host intrinsic non-volatile resistive states whereby an S atom at a monosulfur vacancy (parent state) pops into the molybdenum plane (popped state) under applied out-of-plane electric field. Our rigorous computations based on Density Functional Theory (DFT) and M3GNet (deep learned forcefield) to carry out structural relaxations and molecular dynamics reveal that such a popped state is unstable and does not represent any intrinsic non-volatile resistive state. This is in contrast with the ReaxFF used in previous studies which inaccurately describes the Potential Energy Surface (PES) of MoS2 around the popped state. More importantly, Au atom adsorbed at a sulfur vacancy in MoS2 atomristors represents a stable non-volatile resistive state which is in excellent agreement with earlier experiment. Furthermore, it is observed that the local heating generated around the adsorbed Au atom in low resistive state leads to cycle-to-cycle variability in MoS2 atomristors.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-9"},"PeriodicalIF":9.1,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00518-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142789397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Electrocatalytic mechanism for overall water splitting to produce sustainable hydrogen by 2D Janus MoSH monolayer","authors":"Deobrat Singh, Nisha Singh, Yogesh Sonvane","doi":"10.1038/s41699-024-00516-2","DOIUrl":"10.1038/s41699-024-00516-2","url":null,"abstract":"In the present work, we investigates the potential of two dimensional (2D) Janus MoSH monolayer as an electrocatalyst for overall water splitting using first-principles calculations. Our results shows that 2D Janus MoSH monolayer exhibits excellent structural stability and electronic properties, which are essential for efficient electrocatalysis. We find that the charge transfer mechanism between Mo and S atoms plays a crucial role in the electrocatalytic activity of 2D Janus MoSH monolayer. Due to the asymmetric structure of MoSH monolayer, it has intrinsic electric field with dipole moment of 0.24 D. Moreover, we demonstrate that 2D Janus MoSH monolayer exhibits high catalytic activity for both hydrogen evolution reaction (HER) with overpotential 0.04 V and oxygen evolution reaction (OER) with overpotential 0.11 V, making it a promising candidate for overall water splitting. Our findings have significant implications for the design and optimization of 2D monolayered materials for renewable energy production. By providing insights into the underlying mechanisms of HER and OER on 2D Janus MoSH monolayer, our study paves the way for the development of efficient and sustainable electrocatalysts for water splitting. We hope that current work will be helpful in understanding the electrocatalytic mechanism of 2D Janus MoSH monolayer and its potential applications in renewable energy production.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-9"},"PeriodicalIF":9.1,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00516-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142714751","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}