More Like this

1. Electronic transport across extended grain boundaries in graphene

   https://doi.org/10.1088/2632-959X/ac0597  

   Majee, Arnab K ; Aksamija, Zlatan ( September 2021 , Nano Express)

   Abstract Owing to its superlative carrier mobility and atomic thinness, graphene exhibits great promise for interconnects in future nanoelectronic integrated circuits. Chemical vapor deposition (CVD), the most popular method for wafer-scale growth of graphene, produces monolayers that are polycrystalline, where misoriented grains are separated by extended grain boundaries (GBs). Theoretical models of GB resistivity focused on small sections of an extended GB, assuming it to be a straight line, and predicted a strong dependence of resistivity on misorientation angle. In contrast, measurements produced values in a much narrower range and without a pronounced angle dependence. Here we study electron transport across rough GBs, which are composed of short straight segments connected together into an extended GB. We found that, due to the zig-zag nature of rough GBs, there always exist a few segments that divide the crystallographic angle between two grains symmetrically and provide a highly conductive path for the current to flow across the GBs. The presence of highly conductive segments produces resistivity between 10 2 to 10 4 Ω μ m regardless of misorientation angle. An extended GB with large roughness and small correlation length has small resistivity on the order of 10 3 Ω μ m, evenmore »for highly mismatched asymmetric GBs. The effective slope of the GB, given by the ratio of roughness and lateral correlation length, is an effective universal quantifier for GB resistivity. Our results demonstrate that the probability of finding conductive segments diminishes in short GBs, which could cause a large variation in the resistivity of narrow ribbons etched from polycrystalline graphene. We also uncover spreading resistance due to the current bending in the grains to flow through the conductive segments of the GB and show that it scales linearly with the grain resistance. Our results will be crucial for designing graphene-based interconnects for future integrated circuits.« less
2. Grain‐Boundary‐Rich Noble Metal Nanoparticle Assemblies: Synthesis, Characterization, and Reactivity

   https://doi.org/10.1002/adfm.202204169  

   Geng, Xin ; Li, Shuwei ; Heo, Jaeyoung ; Peng, Yi ; Hu, Wenhui ; Liu, Yanchao ; Huang, Jier ; Ren, Yang ; Li, Dongsheng ; Zhang, Liang ; et al ( June 2022 , Advanced Functional Materials)

   Here, a comprehensive study on the synthesis, characterization, and reactivity of grain‐boundary (GB)‐rich noble metal nanoparticle (NP) assemblies is presented. A facile and scalable synthesis of Pt, Pd, Au, Ag, and Rh NP assemblies is developed, in which NPs are predominantly connected via Σ3 (111) twin GBs, forming a network. Driven by water electrolysis, the random collisions and oriented attachment of colloidal NPs in solution lead to the formation of Σ3 (111) twin boundaries and some highly mismatched GBs. This synthetic method also provides convenient control over the GB density without altering the crystallite size or GB type by varying the NP collision frequency. The structural characterization reveals the presence of localized tensile strain at the GB sites. The ultrahigh activity of GB‐rich Pt NP assembly toward catalytic hydrogen oxidation in air is demonstrated, enabling room‐temperature catalytic hydrogen sensing for the first time. Finally, density functional theory calculations reveal that the strained Σ3(111) twin boundary facilitates oxygen dissociation, drastically enhancing the hydrogen oxidation rate via the dissociative pathway. This reported large‐scale synthesis of the Σ3 (111) twin GB‐rich structures enables the development of a broad range of high‐performance GB‐rich catalysts.
3. Atomistic and machine learning studies of solute segregation in metastable grain boundaries

   https://doi.org/10.1038/s41598-022-10566-5  

   Mahmood, Yasir ; Alghalayini, Maher ; Martinez, Enrique ; Paredis, Christiaan J. J. ; Abdeljawad, Fadi ( April 2022 , Scientific Reports)

   The interaction of alloying elements with grain boundaries (GBs) influences many phenomena, such as microstructural evolution and transport. While GB solute segregation has been the subject of active research in recent years, most studies focus on ground-state GB structures, i.e., lowest energy GBs. The impact of GB metastability on solute segregation remains poorly understood. Herein, we leverage atomistic simulations to generate metastable structures for a series of [001] and [110] symmetric tilt GBs in a model Al–Mg system and quantify Mg segregation to individual sites within these boundaries. Our results show large variations in the atomic Voronoi volume due to GB metastability, which are found to influence the segregation energy. The atomistic data are then used to train a Gaussian Process machine learning model, which provides a probabilistic description of the GB segregation energy in terms of the local atomic environment. In broad terms, our approach extends existing GB segregation models by accounting for variability due to GB metastability, where the segregation energy is treated as a distribution rather than a single-valued quantity.
4. In Situ Characterization of Phase-Change Materials

   Tripathi, s. ; Janish, M. ; Noor, N. ; Jungjohann, K. ; Pete, D. ; Kotula, P. ; Silva, H. ; Carter, C. ( November 2018 , Materials Research Society symposia proceedings)

   To understand the mechanism underlying the fast, reversible, phase transformation, information about the atomic structure and defects structures in phase change materials class is key. PCMs are investigated for many applications. These devices are chalcogenide based and use self heating to quickly switch between amorphous and crystalline phases, generating orders of magnitude differences in the electrical resistivity. The main challenges with PCMs have been the large power required to heat above crystallization or melting (for melt-quench amorphization) temperatures and limited reliability due to factors such as resistance drifts of the metastable phases, void formation and elemental segregation upon cycling. Characterization of devices and their unique switching behavior result in distinct material properties affected by the atomic arrangement in the respective phase. TEM is used to study the atomic structure of the metastable crystalline phase. The aim is to correlate the microstructure with results from electrical characterization, building on R vs T measurements on various thicknesses GST thin films. To monitor phase changes in real-time as a function of temperature, thin films are deposited directly onto Protochips carriers. The Protochips heating holders provides controlled temperature changes while imaging in the TEM. These studies can provide insights into how changes occur inmore »the various phase transformations even though the rate of temperature change is much slower than the PCM device operation. Other critical processes such as void formation, grain evolution and the cause of resistance drift can thereby be related to changes in structure and chemistry. Materials characterization is performed using Tecnai F30 and Titan ETEM microscopes, operating at 300kV. Both the microscopes can accept the same Protochips heating holders. The K2 direct electron detector camera equipped with the ETEM allows high-speed video recording (1600 f/s) of structural changes occurring in these materials upon heating and cooling. In this presentation, we will describe the effect of heating thin films of different thickness and composition, the changes in crystallinity and grain size, and how these changes correlate with changes in the electrical properties of the films. We will emphasize that it is always important to use low-dose and/or beam blanking techniques to distinguish changes induced by the beam from those due to the heating or introduction of an electric current.« less
5. Synthesis and Characterization of Free-Stand Graphene/Silver Nanowire/Graphene Nano Composite as Transparent Conductive Film with Enhanced Stiffness

   https://doi.org/10.3390/app10144802  

   Guo, Chuanrui ; Li, Yanxiao ; Zhu, Yanping ; Wu, Chenglin ; Chen, Genda ( July 2020 , Applied Sciences)

   As-grown graphene via chemical vapor deposition (CVD) has potential defects, cracks, and disordered grain boundaries induced by the synthesis and transfer process. Graphene/silver nanowire/graphene (Gr/AgNW/Gr) sandwich composite has been proposed to overcome these drawbacks significantly as the AgNW network can provide extra connections on graphene layers to enhance the stiffness and electrical conductivity. However, the existing substrate (polyethylene terephthalate (PET), glass, silicon, and so on) for composite production limits its application and mechanics behavior study. In this work, a vacuum annealing method is proposed and validated to synthesize the free-stand Gr/AgNW/Gr nanocomposite film on transmission electron microscopy (TEM) grids. AgNW average spacing, optical transmittance, and electrical conductivity are characterized and correlated with different AgNW concentrations. Atomic force microscope (AFM) indentation on the free-stand composite indicates that the AgNW network can increase the composite film stiffness by approximately 460% with the AgNW concentration higher than 0.6 mg/mL. Raman spectroscopy shows the existence of a graphene layer and the disturbance of the AgNW network. The proposed method provides a robust way to synthesize free-stand Gr/AgNW/Gr nanocomposite and the characterization results can be utilized to optimize the nanocomposite design for future applications.