Article
Chemistry, Multidisciplinary
Rinki Bhowmick, Sayantanu Koley, Mausumi Chattopadhyaya, Sabyasachi Sen
Summary: This study establishes a simple 2D tunnelling nanostructure created by an assembly of ferromagnetic g-C4N3 electrodes separated by insulating graphene sheet, as a potential spincaloritronic device. The system shows a large departure in up and down spin component of Seebeck coefficient, and the spin thermoelectric figure of merit is 10(3) times larger than the charge part. The emergence of spin polarized Seebeck coefficient may be attributed to intrinsic ferromagnetism of g-C4N3 and spin-injection from ferromagnetic electrode to insulating graphene. This widely varying spin polarized Seebeck coefficient is attributed to large negative slope of logarithmic transmission coefficient of spin up channel compared to spin down counterpart.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2021)
Article
Chemistry, Multidisciplinary
De-Bing Long, Yulin Feng, Guoying Gao, Li-Ming Yang
Summary: The physicochemical properties of embedded TM atoms in g-C4N3 monolayers were systematically studied. Different magnetic states and electronic states can be achieved by anchoring different TM atoms or applying biaxial strains. The embedding of TM atoms enhances the visible light absorption and the Pt-2@g-C4N3/BN heterojunction shows a high power conversion efficiency of 20.20%, indicating its potential in solar cell applications.
Article
Chemistry, Physical
Linfeng Yu, Yuqi Zhan, Donghai Wei, Chen Shen, Hongbin Zhang, Zhenzhen Qin, Guangzhao Qin
Summary: This article introduces a multifunctional 2D graphene-like boron nitride material (g-B3N5) with a buckling structure, which has been proven to be stable in terms of mechanical, thermal, dynamic, and energetic behaviors. Furthermore, the mechanical, electronic, thermal, and optical properties of the material have been systematically explored, showing excellent performances such as negative Poisson's ratio, ultra-wide band gap, low thermal conductivity, and highly tunable photon absorption peak by strain engineering.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Multidisciplinary
Rinki Bhowmick, Mausumi Chattopadhyaya, Sabyasachi Sen
Summary: This study reveals the existence of a critical tunnelling width in graphitic tunnelling nanostructures, beyond which they exhibit asymmetric spin polarized negative differential resistance feature. The system switches from symmetric to asymmetric negative differential resistance feature at this critical tunnelling width.
Article
Chemistry, Physical
Haiping Wu, Yuelin Li, Yan Qian, Erjun Kan
Summary: In this study, a series of C4N3 compounds were designed using first-principles calculations. The ABC-stacked compound exhibits antiferromagnetic ordering and has a hardness of 54.0 GPa, while being a semiconductor. This work opens a potential way to design magnetic superhard materials and has attracted attention in the field of spintronics.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Nanoscience & Nanotechnology
Fusheng Du, Kai Zheng, Shuwen Zeng, Yufeng Yuan
Summary: This study presents a new design for a tunable plasmonic biosensor using a twisted bilayer graphene (TBG) superlattice and a plasmonic gold thin film. The biosensor can achieve ultrasensitive biosensing through modulation of the Goos-Hanchen (GH) shift. The optimized configuration of the biosensor demonstrates a theoretical possibility for quantitative monitoring of SARS-CoV-2 and human hemoglobin, showing potential for biomedical applications.
Article
Engineering, Electrical & Electronic
Cunzhi Sun, Cheng Xiang, Rongdun Hong, Feng Zhang, Timothy J. Booth, Peter Boggild, Manh-Ha Doan
Summary: This study demonstrates a method using fluorinated bilayer graphene as a barrier to prevent strong Fermi level pinning at metal/2D material interfaces, which enhances the tunability of Schottky barrier height and has potential applications in electronics and optoelectronics.
ACS APPLIED ELECTRONIC MATERIALS
(2022)
Article
Nanoscience & Nanotechnology
Hang Chi, Zewen Lin, Yuxin Chen, Renhao Zheng, Hong Qiu, Xiaolan Hu, Hua Bai
Summary: This paper reports on the direct ink writing 3D printing of multifunctional composite materials based on commercial epoxy resin and the recycling of printed composite materials. By adding graphene nanoplatelets as a thixotropic additive, the liquid epoxy resin can be shear-thinning and suitable for direct ink printing. The printed composite materials have high resolution, high mechanical strength, as well as high thermal and electrical conductivity, and fast thermo-induced shape memory response. The printed objects can be recycled by comminuting them into micropowders and used as a thixotropic agent for preparing recycled DIW ink.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Lei Chen, Shuxin Gui, Jingxiang Zhao
Summary: Room-temperature sodium-sulfur (Na-S) batteries have great potential for next-generation energy storage devices, but face challenges of sodium polysulfide shuttle effect and sluggish reaction kinetics. This study proposes 2D metal chloride monolayers as multifunctional anchoring materials to address these challenges and enhance the battery performance.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Engineering, Electrical & Electronic
Jun-Jie Zhang, Bian Wu, Yu-Tong Zhao, Lei Song, Hao-Ran Zu, Rong-Guo Song, Da-Ping He
Summary: This paper presents a two-dimensional wireless displacement sensor with high sensitivity composed of a bilayer graphene-based frequency selective surface (FSS), which can achieve two-dimensional displacement sensing. Experimental results show high sensitivity in both x and y directions, and the excellent stability of graphene makes it suitable for harsh environments, showing promising prospects for applications.
IEEE SENSORS JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Fayang Guan, Hui Ren, Lan Yu, Qingzhong Cui, Wanjun Zhao, Jie Liu
Summary: A novel two-dimensional energetic material, nitrated graphene oxide (NGO), was synthesized via nitrification of graphite oxide, showing higher stability and storage performance, which has potential applications in catalysts, electrode materials, and energetic devices.
Review
Nanoscience & Nanotechnology
Sergio Pinilla, Joao Coelho, Ke Li, Ji Liu, Valeria Nicolosi
Summary: This review provides a comprehensive description of the steps involved in the fabrication of 2D inks for printed technologies, including material selection, deposition techniques, and applications. The potential for commercialization of this technology is also discussed.
NATURE REVIEWS MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Xiao Li, Xiao Dai, Hao Xu, Kai Shen, Jian Guo, Caihong Li, Guifu Zou, Kwang-Leong Choy, Ivan P. Parkin, Zhengxiao Guo, Huiyun Liu, Jiang Wu
Summary: A multifunctional device based on two-dimensional glassy graphene has been developed for integrated photodetection and chemical sensing, demonstrating comparable or improved performance compared to pristine graphene. The glassy graphene device shows less sensitivity to photoinduced desorption and enhanced adsorption of analytes, leading to positive photoresponse and improved chemical sensing capabilities. This study highlights the potential of glassy graphene for multifunctional applications beyond current limitations.
SCIENCE CHINA-MATERIALS
(2021)
Article
Chemistry, Physical
Xiaohua Yu, Jincheng Hou, Haijun Wu, Ju Rong, Xiao Wang, Kui Xu, Jing Feng
Summary: The study reveals that the newly developed two-dimensional graphene material Kust-I with nanopores can effectively address the global freshwater shortage issue, showing excellent mechanical and electrical properties as well as long-term stability, and easy recyclability.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Article
Physics, Multidisciplinary
S. Moeller, L. Banszerus, A. Knothe, C. Steiner, E. Icking, S. Trellenkamp, F. Lentz, K. Watanabe, T. Taniguchi, L. I. Glazman, V. I. Fal'ko, C. Volk, C. Stampfer
Summary: The study finds that in bilayer graphene, orbital symmetric states have lower energy than orbital antisymmetric states, and there is a significant energy difference between them. Furthermore, the symmetric multiplet also exhibits energy splitting of its states due to lattice scale interactions.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)