Article
Chemistry, Physical
Yasemin Keskin, Ozhan Unverdi, Dogan Erbahar, Ismet Inonu Kaya, Cem Celebi
Summary: The friction coefficients of single-layer epitaxial graphene grown on Si-terminated and C-terminated faces of SiC substrate were measured using FFM under ambient conditions. The results showed that the friction coefficient of graphene on the C-terminated face of SiC is about two times smaller than on its Si-terminated face. The observed difference in friction coefficients cannot be solely attributed to the roughness of the graphene layers.
Article
Chemistry, Physical
Sergey A. Kukushkin, Andrey V. Osipov
Summary: Thin films of single-crystal silicon carbide grown on silicon substrate via a chemical reaction with carbon monoxide gas were studied using spectral ellipsometry in the photon energy range of 0.5-9.3 eV. An intermediate layer with semimetal properties was found to form at the interface between 3C-SiC(111) and Si(111), and quantum chemistry methods were used to calculate the properties of this interface. Silicon atoms from the substrate were shown to be attracted to the interface on the side of the silicon carbide film, resulting in semimetal properties corresponding to the ellipsometry data.
Article
Chemistry, Physical
Filippo Fabbri, Manuela Scarselli, Naveen Shetty, Sergey Kubatkin, Samuel Lara-Avila, Mathieu Abel, Isabelle Berbezier, Holger Vach, Matteo Salvato, Maurizio De Crescenzi, Paola Castrucci
Summary: Epitaxial graphene has been proven to be an excellent substrate for synthesizing two-dimensional materials. Silicene, a highly anticipated material, has been successfully grown on a slightly defective epitaxial graphene network, opening possibilities for controlled intercalation of silicon atoms and future nanotechnology applications.
SURFACES AND INTERFACES
(2022)
Article
Materials Science, Multidisciplinary
Jinjin Wang, Minsung Kim, Liangyao Chen, Kai-Ming Ho, Michael Tringides, Cai-Zhuang Wang, Songyou Wang
Summary: This paper systematically investigates the effect of lead intercalation on the structural and electronic properties of epitaxial graphene on the SiC substrate. The band structure of Pb-intercalated few-layer graphene can be effectively tuned through intercalation conditions, showing potential for manipulating the electronic properties of graphene layers. Lead intercalation at the interface between the buffer layer and the substrate decouples the layers and can transform the BL into a p-doped graphene layer.
Article
Engineering, Electrical & Electronic
David A. A. Katzmarek, Yang Yang, Mohammad B. B. Ghasemian, Kourosh Kalantar-Zadeh, Richard W. W. Ziolkowski, Francesca Iacopi
Summary: The properties of epitaxial graphene for radio frequency (RF) applications are investigated. Metal coplanar waveguides (CPWs) are fabricated to evaluate the frequency-dependent behavior of the graphene's sheet resistance. The quality of the metal contact with graphene and the influence of small-scale discontinuities are important factors in the RF spectrum.
IEEE ELECTRON DEVICE LETTERS
(2023)
Article
Physics, Applied
Hiroki Nakai, Daiu Akiyama, Yoshiaki Taniguchi, Iori Kishinobu, Hiromichi Wariishi, Yasuhide Ohno, Masao Nagase, Takuya Ikeda, Atsushi Tabata, Hideaki Nagamune
Summary: This study demonstrated charge-independent biomolecule detection using FETs with single-crystal epitaxial graphene films on SiC substrates. The research showed that charge transfer occurred between proteins and epitaxial graphene, and the graphene FETs exhibited high sensitivity to biomolecules.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Chemistry, Physical
Y. Yang, K. H. Gao, W. J. Wang, G. Yu, Y. Sun, X. H. Zhang, Z. Q. Li
Summary: An anomalous carrier-concentration dependence of electron-electron interactions was observed in epitaxial graphene on SiC, offering a new route to control EEI in graphene.
Article
Chemistry, Physical
Xiaomeng Li, Rongkun Wang, Zhiyuan Zuo, Lei Ge, Xiufang Chen, Xuejian Xie, Longfei Xiao, Yan Peng, Xiangang Xu, Xiaobo Hu
Summary: Metal-Graphene-Metal (MGM) UV photodetectors are fabricated using an Epitaxial Graphene (EG)/SiC junction on a semi-insulating 4H-SiC, and the response performance is found to be affected by the geometric parameters of the graphene channel, with a reduction in rise time and decay time observed as the graphene channel is reduced to single-layer and its aspect ratio is increased.
Article
Materials Science, Multidisciplinary
Weibing Yang, Leila Kasaei, Hussein Hijazi, Sylvie Rangan, Yao-wen Yeh, Raj K. Sah, Jay R. Paudel, Ke Chen, Alexander X. Gray, Philip Batson, Leonard C. Feldman, Xiaoxing Xi
Summary: This study demonstrates the fabrication of ultrathin MgB2 films with a thickness of only 4 nm on the carbon-terminated 6H-SiC (0001) surface using hybrid physical-chemical vapor deposition. The film exhibits a high superconducting transition temperature of above 33 K and a low rms roughness of 0.7 nm. The research also reveals that the quality of the MgB2 film is influenced by the termination of the SiC surface, with the carbon-terminated surface favored over the silicon-terminated surface.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Thi Thuy Nhung Nguyen, Stephen R. Power, Hrag Karakachian, Ulrich Starke, Christoph Tegenkamp
Summary: This study investigates the impact of edge and width variations of graphene nanoribbons on quantum confinement effects. The researchers found that regardless of the ribbon width, the band gaps near the edges of the nanoribbons are significantly reduced, and edge passivation plays a crucial role in determining the local electronic properties of epitaxial nanoribbons.
Article
Chemistry, Physical
Yasuhide Ohno, Ayumi Shimmen, Tomohiro Kinoshita, Masao Nagase
Summary: This study investigates energy harvesting using a flow of deionized water droplets on an epitaxial graphene film on a SiC substrate. The researchers obtained a single-crystal graphene film through annealing a 4H-SiC substrate. They tested the energy harvesting by using NaCl or HCl solutions on the graphene surface. The study confirmed the generation of a maximum voltage of 100 mV from the DI water flow on the epitaxial graphene film.
Article
Chemistry, Physical
Stefano Veronesi, Georg Pfusterschmied, Filippo Fabbri, Markus Leitgeb, Omer Arif, Daniel Arenas Esteban, Sara Bals, Ulrich Schmid, Stefan Heun
Summary: Nanoporous materials, such as graphene, with a three-dimensional porous structure, have shown great potential for various applications. In this study, we report the successful three-dimensional growth of graphene on a porousified crystalline 4H-SiC(0001) substrate. The high quality and uniformity of the graphene were confirmed by Transmission Electron Microscopy and Raman spectroscopy.
Article
Thermodynamics
Yunqing Tang, Zhang Zhang, Lin Li, Juan Guo, Ping Yang
Summary: The study investigates the thermal transport properties across graphene/Si and graphene/SiC interfaces, revealing different mechanisms of enhancement of interfacial thermal conductance. The results provide insights into the understanding of interfacial thermal transport between graphene and semiconductors.
INTERNATIONAL JOURNAL OF THERMAL SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Ye-Chuang Han, Shi-Hao Yin, Jun-Rong Zheng, Yuan-Fei Hu, Li Sun, Li Zhang, Zhong-Qun Tian, Jun Yi
Summary: This study reports a thermal shock annealing method that enables fast and high-quality epitaxial growth of graphene on SiC. The method effectively mitigates structural defects and improves the flatness of graphene on SiC. The study also demonstrates the significant enhancement of surface-enhanced infrared absorption using graphene on SiC.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Haruko Toyama, Ryota Akiyama, Satoru Ichinokura, Mizuki Hashizume, Takushi Iimori, Yukihiro Endo, Rei Hobara, Tomohiro Matsui, Kentaro Horii, Shunsuke Sato, Toru Hirahara, Fumio Komori, Shuji Hasegawa
Summary: This study reveals the crucial role of the interface between monolayer graphene and the SiC substrate in the superconductivity induced by Ca-intercalation. Through Ca-termination of SiC, the carbon layer at the interface changes to graphene, and Ca is intercalated between the graphene layers, leading to superconductivity. The relationship between the critical temperature and the normal-state conductivity exhibits an unusual dome-shaped pattern.
Article
Materials Science, Composites
Ping Liu, Yucheng Zhong, Qing-Xiang Pei, Viacheslav Sorkin, Yong-Wei Zhang
Summary: Short fiber reinforced thermoplastic composites have gained significant interest for their low density, high strength, environmental resistance, and low cost. Optimizing internal structures to maximize mechanical properties is crucial. Increasing the weight fraction of linkage material can enhance the mechanical properties of SFRTPCs.
COMPOSITES SCIENCE AND TECHNOLOGY
(2022)
Article
Chemistry, Physical
Hugues Lambert, Alvaro Castillo Bonillo, Qiang Zhu, Yong-Wei Zhang, Tung-Chun Lee
Summary: This study computationally explores the modulation of the release kinetics of a guest molecule from the CB7 cavity by ligands binding to the host portal. A correlation between ligand-binding affinity with CB7 and guest residence time is uncovered, allowing for rapid prediction of release kinetics. The study also designs cap-shaped ligand molecules with large binding affinities to significantly boost guest residence times. Notably, halogenated aromatic compounds emerge as top-ranking ligands, and their binding to CB7 is supported by experimental evidence.
NPJ COMPUTATIONAL MATERIALS
(2022)
Article
Nanoscience & Nanotechnology
Hao Yuan, Yong-Wei Zhang
Summary: In this study, two-dimensional ferroelectric In2Se3 was investigated as a promising additive to overcome polysulfide shuttling and sluggish kinetics in sulfur cathodes. The findings show that In2Se3 has modest adsorption strength to soluble polysulfides, reduces energy barriers, and enables control of battery performance through ferroelectric switching, thus potentially enhancing Li-S and Na-S battery performance.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Materials Science, Multidisciplinary
Yingzhi Zeng, Mengren Man, Kewu Bai, Yong-Wei Zhang
Summary: This study combines reinforcement learning, machine learning, and CALPHAD techniques to accelerate the exploration of complex concentrated alloys (CCAs), identifying alloy families with high formation ability and revealing the rarity of single-phase CCAs at room temperature.
Article
Chemistry, Multidisciplinary
Mehrdad T. Kiani, Zachary H. Aitken, Abhinav Parakh, Yong-Wei Zhang, X. Wendy Gu
Summary: The complex interaction of crystalline defects leads to strain hardening in bulk metals. Metals with high stacking fault energy (SFE), such as aluminum, tend to have low strain hardening rates due to an inability to form stacking faults and deformation twins. However, by introducing a self-passivating oxide layer on the surface of nanocubes, it is possible to achieve a high linear strain hardening rate and strength in high SFE metals.
Article
Physics, Applied
Wei Wei, Ming Gao, Zhiyong Wang, Yong-Wei Zhang, Zhi Gen Yu, Wai Kin Chim, Chunxiang Zhu
Summary: Alloying CuI with CuBr is proposed to reduce the hole concentration in CuIBr alloy, leading to an increased on/off current ratio for CuIBr TFT devices. The CuIBr TFT with 7.5% Br content exhibits a high hole mobility of larger than 5 cm(2) V-1 s(-1) and a high on/off current ratio of 10^4, which enables the development of inorganic-based CMOS circuits on flexible and transparent substrates.
APPLIED PHYSICS LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Liang-Xing Lu, Hao Jiang, Qin Bian, Wenzhu Shao, Liyi Li, Yong -Wei Zhang, Bo Liang, YuSheng Shi, Liang Zhen
Summary: In-depth understanding of the layer-by-layer process is crucial for quality control of AM components. Computational modelling is an important method to study the mechanisms of AM process, but lacks an integrated platform. In this study, we develop a modelling framework that combines different methods and algorithms to simulate the PBF process of NiTi shape memory alloy. Our simulation reveals the factors determining laser absorptivity and we also propose an analytical model to predict keyhole depth and absorptivity. This work provides a solid foundation for quantitative understanding of multi-layer AM process.
MATERIALS & DESIGN
(2023)
Article
Chemistry, Inorganic & Nuclear
Qun Li, Wenyu Zhou, Chunyan Deng, Chenyang Lu, Peng Huang, Dong Xia, Luxi Tan, Cailong Zhou, Yong-Wei Zhang, Lichun Dong
Summary: This study introduces hydroxyl groups onto the surface of Pt catalysts to overcome the challenges posed by environmental water in catalytic oxidation reactions. The presence of hydroxyl groups on the Pt catalysts enhances their catalytic activity and water resistance. Theoretical calculations reveal that the presence of hydroxyl groups modulates the d-band structure, improving the adsorption and activation of reactants.
INORGANIC CHEMISTRY
(2023)
Article
Engineering, Mechanical
Wanghui Li, Shuai Chen, Zachary Aitken, Yong -Wei Zhang
Summary: This study systematically investigates the shock-induced deformation and fracture behavior of single-crystalline and nanocrystalline CoCrFeMnNi high-entropy alloys (HEAs) under different shock intensities using large-scale molecular dynamics simulations. The research reveals the strong anisotropy in single-crystalline HEAs and how the reversibility of HCP-structured atoms affects void nucleation and growth. Additionally, the study analyzes the effects of SRO and chemical heterogeneity on the shock response in CoCrFeMnNi HEAs. The comprehensive and systematical findings provide deep insights into the deformation and fracture mechanisms and contribute to the rational design of new HEAs/MEAs with enhanced performance.
INTERNATIONAL JOURNAL OF PLASTICITY
(2023)
Article
Nanoscience & Nanotechnology
Ping Liu, Shuai Chen, Qing-Xiang Pei, Zachary H. Aitken, Wanghui Li, Yong-Wei Zhang
Summary: This study investigates the mechanical properties of AlxCoCuFeNi HEAs composites reinforced with AlNi3 nanoparticles using large-scale molecular dynamics simulations. The results show that the AlNi3 nanoparticles can enhance the ultimate tensile strength and ultimate tensile strain of the composite by suppressing phase change and dislocation appearance in the HEA matrix. The study also reveals the underlying reason for the lower-bound relation between Young's modulus, ultimate tensile strength, and ultimate tensile strain by following the rule of mixtures.
Article
Chemistry, Physical
Hao Yuan, Jing Yang, Yong-Wei Zhang
Summary: An ideal host for sulfur cathodes in rechargeable lithium-sulfur batteries should possess high electrical conduction, suppression of the shuttle effect, fast charging/discharging process, fast ion/polysulfide diffusion, and a substrate for 3D Li2S deposition. In this study, Ti3C2F2 was investigated as a host for sulfur cathodes. It was found that Ti3C2F2 enables fast Li2S migration. Mixed surface terminations achieved by doping O or S into Ti3C2F2 showed promising results in terms of 3D deposition mode, accelerated charging/discharging kinetics, and effective suppression of shuttling.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Xuefei Han, Jing Yang, Yong-Wei Zhang, Zhi Gen Yu
Summary: In this work, an effective strategy to enhance the performance of rechargeable aqueous ion batteries (AIBs) by using intercalated CO2 molecules to broaden the interlayer spacing was developed. The intercalation of CO2 significantly increased the interlayer spacing, diffusivity, and intercalation concentration of metal ions, making it a promising cathode material for rapidly rechargeable batteries with high storage capacity.
NANOSCALE ADVANCES
(2023)
Article
Materials Science, Multidisciplinary
Qing-Xiang Pei, Wanghui Li, Zachary H. Aitken, Ping Liu, Yong-Wei Zhang
Summary: This study investigates the impact performance of AlCoCuFeNi HEA/graphene composites using molecular dynamics simulations and finds that graphene can enhance the impact properties of the HEA. The enhancement is mainly attributed to the strong load carrying ability of graphene, although it can also have a negative effect on the impact force of HEA by breaking the structure continuity. Moreover, graphene significantly affects the stress distribution and dislocation behavior at the HEA/graphene interface during the impact process.
JOURNAL OF MATERIALS SCIENCE
(2023)
Review
Chemistry, Multidisciplinary
Hangbo Zhou, Zhun-Yong Ong, Gang Zhang, Yong-Wei Zhang
Summary: This review examines recent advances in quantum interfacial thermal transport, focusing on the role of the Atomistic Green's Function method in predicting interfacial thermal conductance and discussing the mechanisms and ways to tune the interfacial thermal conductance.
Article
Biochemical Research Methods
Dongwei Ma, Jing Yang, Maykel Manawan, Chengfu Yang, Jiahui Li, Yongri Liang, Ting Feng, Yong-Wei Zhang, Jia Hong Pan
Summary: A systematic approach for visualizing the crystal structure evolution of electrode materials in lithium-ion batteries during cyclic charge/discharge processes is proposed in this study, specifically focusing on Ta5+-doped LZTO spheres. The protocol includes modeling the doping state, determining crystal structure parameters, and evaluating formation energy through various calculations, as well as utilizing in-situ XRD techniques for visualization. Further details can be found in Ma et al. (2021).
