Article
Materials Science, Multidisciplinary
Saeed Ghorbanali, Esmaeil Zaminpayma, Hayat Mobarakinia
Summary: This study theoretically investigates two novel superhard sp3-sp2 carbon structures and finds that they exhibit stable structural geometries, semiconductor properties, and ultra-hardness, making them potential materials for high-frequency electronics, high-temperature environments, and the aviation and military industry.
DIAMOND AND RELATED MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Qingyang Fan, Heng Liu, Li Jiang, Wei Zhang, Yanxing Song, Qun Wei, Xinhai Yu, Sining Yun
Summary: Three novel three-dimensional orthorhombic carbon phases proposed in this work exhibit high hardness and shear strength, surpassing other carbon allotropes, and also display metallic properties.
NANOTECHNOLOGY REVIEWS
(2021)
Article
Materials Science, Multidisciplinary
Qingyang Fan, Heng Liu, Li Jiang, Xinhai Yu, Wei Zhang, Sining Yun
Summary: Two new orthorhombic superhard carbon phases C16 and C24 with stable and excellent elastic properties are proposed, indicating their potential as superhard carbon materials.
DIAMOND AND RELATED MATERIALS
(2021)
Article
Physics, Condensed Matter
Yalan Zhou, Xiang Chen, Song-Li Liu, Li-Hua Gan
Summary: Among the four tetragonal anisotropic superhard carbon phases, T-C-20 is the most stable and hardest, with strained four-membered rings being detrimental to the stability and mechanical properties of carbon phases.
SOLID STATE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Xiaoyu Wang, Davide M. Proserpio, Corey Oses, Cormac Toher, Stefano Curtarolo, Eva Zurek
Summary: A metallic, covalently bonded carbon allotrope is predicted via first principles calculations. It exhibits superior mechanical properties and conventional superconductivity. Its properties can be tuned by varying the carbon content and doping.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Materials Science, Multidisciplinary
Hongchao Wang, Zhiping Li, Huiyang Gou, Faming Gao
Summary: The structural, electronic and mechanical properties of two novel superhard boron-carbon-nitride allotropies, oIm12-BCN and oPm12-BCN, were investigated using first-principles calculations. The results show that oIm12-BCN is energetically favorable and has a higher theoretical hardness than oPm12-BCN and most reported BCN phases. The failure mode in both allotropies is dominated by shear, with specific directions being the weakest.
DIAMOND AND RELATED MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Saeed Ghorbanali, Esmaeil Zaminpayma, Hayat Mobarakinia
Summary: In this study, four tetragonal novel superhards with distinct sp2, and sp3 hybridization, namely Occ-C16, Occ-C20, DOcc-alpha C24, and DOcc-beta C24 were predicted and investigated. These superhards exhibit stable structural and mechanical properties, high modulus and Vickers hardness. They can be candidate materials for high-pressure electronic devices.
DIAMOND AND RELATED MATERIALS
(2023)
Article
Physics, Multidisciplinary
Mengjiang Xing, Xiaozhen Li
Summary: Two novel carbon allotropes, P4/mmm C-40 and P4/mmm C-60, with sp3 hybridization, have been predicted to be mechanically and thermodynamically stable superhard materials.
CHINESE JOURNAL OF PHYSICS
(2022)
Review
Chemistry, Multidisciplinary
Boris I. Kharisov, Oxana V. Kharissova, Lucy T. Gonzalez, Yolanda Pena Mendez, Igor E. Uflyand, Naveen Kulkarni
Summary: This article reviews the latest data on experimentally undiscovered carbon allotropes predicted by Density Function Theory (DFT). Classic carbon allotropes such as graphene, carbon nanotubes, fullerenes, and their hybrids have been studied using DFT and related methods, resulting in a wide range of potentially existing forms based on 5, 6, 7-member cycles and their combinations. Various carbon allotropes including cyclocarbons, large carbon clusters, nanobelts, nanoribbons, liquid, metallic, semiconductive, and superhard carbons are known to exist under high or low pressures. These carbon allotropes can contain carbon atoms in the same hybridization state or as mixtures, for example sp(2)+sp(3). Possible synthesis methods, properties, and applications are proposed for several carbon allotropes.
Article
Materials Science, Multidisciplinary
Yin Wang, Qingfeng Zeng, Xinke Du, Yong Gao, Bowen Yin
Summary: This study systematically investigated the structural, mechanical, and electronic properties of six novel carbon allotropes using first-principles calculations, revealing their potential to be superhard materials. The high hardness origin of these carbon allotropes was also analyzed from a structural perspective using a tiling approach.
MATERIALS TODAY COMMUNICATIONS
(2021)
Article
Multidisciplinary Sciences
Yuchen Shang, Zhaodong Liu, Jiajun Dong, Mingguang Yao, Zhenxing Yang, Quanjun Li, Chunguang Zhai, Fangren Shen, Xuyuan Hou, Lin Wang, Nianqiang Zhang, Wei Zhang, Rong Fu, Jianfeng Ji, Xingmin Zhang, He Lin, Yingwei Fei, Bertil Sundqvist, Weihua Wang, Bingbing Liu
Summary: Through high-pressure heating, nearly pure sp(3) amorphous carbon samples were successfully synthesized, exhibiting diamond-like short-/medium-range order and the highest hardness, elastic modulus, and thermal conductivity among any known amorphous materials, with tunable optical bandgaps.
Article
Materials Science, Multidisciplinary
Qun Wei, Hui Yuan, Wen Tong, Meiguang Zhang
Summary: In this study, three new superhard metallic carbon materials were proposed based on first-principles calculations. The structural, mechanical, and electronic properties of these materials were investigated, showing their stability and high hardness. These materials are expected to be potential candidates for high-pressure electronic devices.
DIAMOND AND RELATED MATERIALS
(2022)
Article
Physics, Condensed Matter
Wen Tong, Qun Wei, Hui Yuan, Meiguang Zhang, Zhenhua Wu, Xuanmin Zhu
Summary: Based on crystal structure prediction technique and first-principles calculations, a new superhard carbon structure C12 (space group: C2/m) with sp2-sp3 hybrid bonding network was proposed. Mechanical properties analysis demonstrates its mechanical stability and strong anisotropy. Phonon spectra confirm its dynamic stability at ambient pressure. Electronic band structure analysis reveals C12 as a narrow bandgap semiconductor with hardness of approximately 67 GPa, making it a potential superhard semiconductor material for future applications.
PHYSICA B-CONDENSED MATTER
(2023)
Article
Chemistry, Physical
Rakesh K. Sahoo, Brahmananda Chakraborty, Sridhar Sahu
Summary: This study investigates the reversible hydrogen storage capacities of Li and Na decorated C-20 fullerene using dispersion corrected density functional theory calculation. The systems can adsorb up to five H2 molecules and have shown promising potential as hydrogen storage materials at room temperature. The calculated thermodynamic usable hydrogen capacity demonstrates the reversibility of adsorbed hydrogen molecules, meeting the criteria set by the US-DOE.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Materials Science, Multidisciplinary
Wen Tong, Qun Wei, Bing Wei, Mingwei Hu, Linqian Li, Meiguang Zhang, Xuanmin Zhu
Summary: A new all-sp(3) hybridized orthorhombic superhard carbon phase Fmmm-C80 with direct band gap and low density has been discovered using CALYPSO code and first-principles calculations. It contains 80 carbon atoms in its unit cell and exhibits a calculated direct band gap of 4.11 eV, confirming its semiconducting nature. Additionally, Fmmm-C80 shows potential as a superhard carbon phase with a large Vickers hardness of 51 GPa.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Chemistry, Physical
Naeem Ullah, Shunwei Chen, Yanling Zhao, Ruiqin Zhang
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2019)
Article
Materials Science, Multidisciplinary
Jichang Ren, Ruiqin Zhang
PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL
(2019)
Article
Chemistry, Physical
Naeem Ullah, Shunwei Chen, Ruiqin Zhang
APPLIED SURFACE SCIENCE
(2019)
Article
Chemistry, Physical
Shunwei Chen, Yanling Zhao, Naeem Ullah, Qun Wan, Ruiqin Zhang
Article
Chemistry, Physical
Shunwei Chen, Naeem Ullah, Yanling Zhao, Ruiqin Zhang
Article
Chemistry, Physical
Weiyu Xie, Jia Wang, Jianpeng Wang, Xiaochen Wu, Zhigang Wang, Rui-Qn Zhang
JOURNAL OF PHYSICAL CHEMISTRY C
(2020)
Article
Chemistry, Physical
Shunwei Chen, Naeem Ullah, Ruiqin Zhang
THEORETICAL CHEMISTRY ACCOUNTS
(2020)
Article
Chemistry, Physical
Wei Xiong, Miaoyan Huang, Fei Huang, Rui-Qin Zhang
APPLIED SURFACE SCIENCE
(2020)
Article
Chemistry, Physical
Wenli Zhou, Yanling Zhao, Ensheng Wang, Qingna Li, Sunqi Lou, Jing Wang, Xiaoming Li, Qing Lian, Qingji Xie, Rui-Qin Zhang, Haibo Zeng
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2020)
Article
Chemistry, Multidisciplinary
Fei Huang, Jiajia Ning, Wei Xiong, Ting Shen, Yanling Zhao, Jianjun Tian, Ruiqin Zhang, Andrey L. Rogach
Article
Physics, Multidisciplinary
Yanoar Pribadi Sarwono, Faiz Ur Rahman, Ruiqin Zhang
NEW JOURNAL OF PHYSICS
(2020)
Article
Chemistry, Physical
Miaoyan Huang, Haipeng Wang, Wan Li, Yan-Ling Zhao, Rui-Qin Zhang
JOURNAL OF MATERIALS CHEMISTRY A
(2020)
Article
Engineering, Environmental
Yaoguang Guo, Yan-Ling Zhao, Xiaoyi Lou, Tianyi Zhou, Zhaohui Wang, Changling Fang, Jie Guan, Shuai Chen, Xin Xu, Rui-Qin Zhang
JOURNAL OF HAZARDOUS MATERIALS
(2020)
Article
Chemistry, Physical
Wei Xiong, Haipeng Wang, Zhenyu Wang, Fei Huang, Tatiana Dudka, Zhouguang Lu, Yanling Zhao, Rui-Qin Zhang
JOURNAL OF MATERIALS CHEMISTRY A
(2020)
Review
Chemistry, Physical
Wei Xiong, Fei Huang, Rui-Qin Zhang
SUSTAINABLE ENERGY & FUELS
(2020)
Article
Chemistry, Physical
Jie Sheng, Jingshan He, Dun Ma, Yuanbo Wang, Wu Shao, Tian Ding, Ronghao Cen, Jingwen He, Zhihao Deng, Wenjun Wu
Summary: This study presents an innovative approach to improve the photovoltaic conversion characteristics and stability of perovskite solar cells through carbon electrode interface modification. By in-situ polymerization and carbonization on the surface of nano-graphite, a dendritic structure carbon electrode is formed, reducing the work function and aligning the energy levels with perovskite. This leads to improved charge and hole collection efficiency, resulting in increased photovoltaic conversion efficiency. Furthermore, the modified carbon electrode-based perovskite solar cells exhibit exceptional stability, maintaining high efficiency even without encapsulation.
Article
Chemistry, Physical
Guodong Shi, Jian Song, Xiaoxiao Tian, Tongtong Liu, Zhanjun Wu
Summary: This study demonstrates the improvement of mechanical properties and reduction of coefficient of thermal expansion (CTE) in graphene oxide (GO)/epoxy (EP) nanocomposites by enhancing the interface between GO and EP through functionalization and incorporating rigid-flexible interphases. The results reveal that the SiO2-PEA-GO hybrid exhibits better strengthening and toughening effects, as well as lower CTE, compared to the PEA-GO hybrid due to the presence of rigid-flexible interfaces with higher bonding strength and better energy dissipation mechanisms. Additionally, the nanocomposites with longer polyetheramine (PEA) molecules in the rigid-flexible interphases demonstrate higher strength and toughness, while maintaining a lower CTE. This work provides a promising strategy for constructing adjustable flexible-rigid interfacial structures and offers potential in developing GO/EP nanocomposites with high mechanical properties and low CTE.
Article
Chemistry, Physical
Rafal Janus, Sebastian Jarczewski, Jacek Jagiello, Piotr Natkanski, Mariusz Wadrzyk, Marek Lewandowski, Marek Michalik, Piotr Kustrowski
Summary: In this study, a facile procedure for the synthesis of CMK-1 and CMK-2 carbon replicas was developed. The method utilizes basic laboratory equipment and a renewable carbon source, and operates under mild conditions. The resulting carbon mesostructures exhibit exquisite replication fidelity and structural homogeneity, making them suitable for applications in various fields.
Article
Chemistry, Physical
Anqi Wang, Connor J. MacRobbie, Alex Baranovsky, Jean-Pierre Hickey, John Z. Wen
Summary: In this study, a novel polymer-free nanothermite aerogel with a wide range of nanoparticle loading was fabricated via a new additive manufacturing process. The SEM images showed a unique porous structure formed by extra thin rGO sheets, wrapping individual nanothermite clusters. The DSC-TGA results and high-speed combustion videos confirmed the enhanced energetic performance of the printed specimen.
Article
Chemistry, Physical
Wanze Wu, Misheng Zhao, Shiwei Miao, Xiaoyan Li, Yongzhong Wu, Xiao Gong, Hangxiang Wang
Summary: Superhydrophobic solar-driven interfacial evaporator is an energy-efficient technology for seawater desalination, which is easily fabricated using robust photothermal superhydrophobic coating and substrate. The created bifunctional coating on the melamine sponge substrate shows stable and highly efficient photothermal and superhydrophobic performance for seawater desalination. This superhydrophobic solar-driven interfacial evaporator is expected to have wide applications in seawater desalination.
Article
Chemistry, Physical
Zichen Xiang, Zhi Song, Tiansheng Wang, Menghang Feng, Yijing Zhao, Qitu Zhang, Yi Hou, Lixi Wang
Summary: This study presents a co-electrospinning synthesis strategy to fabricate lightweight and porous Co@C composite nanofibres with wideband microwave attenuation capacity. The addition of MOF-derived Co additives enhances the low-frequency absorption performance.
Article
Chemistry, Physical
J. Snow, C. Olson, E. Torres, K. Shirley, E. Cazalas
Summary: This study investigates the use of a perovskite-based graphene field effect transistor (P-GFET) device for X-ray detection. The sensitivity and responsivity of the device were found to be influenced by factors such as X-ray tube voltage, current, and source-drain voltage. Simulation experiments were conducted to determine the dose rate and energy incident on the device during irradiation.
Article
Chemistry, Physical
Zuzana Jankovska, Lenka Matejova, Jonas Tokarsky, Pavlina Peikertova, Milan Dopita, Karolina Gorzolkova, Dominika Habermannova, Michal Vastyl, Jakub Belik
Summary: This study provides new insights into microwave-assisted pyrolysis of scrap tyres, demonstrating that it can produce microporous carbon black with potential application in xylene adsorption. Compared to conventional pyrolysis, microwave pyrolysis requires less time and energy while maintaining similar adsorption capacity.
Article
Chemistry, Physical
Max Bommert, Bruno Schuler, Carlo A. Pignedoli, Roland Widmer, Oliver Groning
Summary: A detailed understanding of the interaction between molecules and two-dimensional materials is crucial for incorporating functional molecular films into next-generation 2D material-organic hybrid devices. This study compares the energy level alignment of different-sized fullerenes on a Moire superstructure and finds that C-84 fullerenes can be either neutral or negatively charged depending on slight variations of the electrostatic potential. This discovery suggests a new path to achieve ambipolar charge transfer without overcoming the electronic gap of fullerenes.
Article
Chemistry, Physical
Yuanjing Cheng, Xianxian Sun, Ye Yuan, Shuang Yang, Yuanhao Ning, Dan Wang, Weilong Yin, Yibin Li
Summary: The dual-structure aerogel (GS) consisting of flexible silica fibers and graphene honeycomb structures exhibits excellent resilience, flexibility, and reliability. It also shows remarkable wave absorbing performance, making it an ideal candidate for microwave absorption applications such as flexible electronics and aerospace.
Article
Chemistry, Physical
Shuyu Fan, Yinong Chen, Shu Xiao, Kejun Shi, Xinyu Meng, Songsheng Lin, Fenghua Su, Yifan Su, Paul K. Chu
Summary: Graphene coatings are promising solid lubrication materials due to their mechanical properties. This study presents a new method for in situ deposition of high-quality graphene coatings on hard substrates using NiCo solid solution and competitive reaction strategies. The graphene coating deposited on substrates with deep NiCo solid solution demonstrates superior low-friction and durability.
Article
Chemistry, Physical
Mengdi Wang, Sanyin Qu, Yanling Chen, Qin Yao, Lidong Chen
Summary: The improved thermoelectric properties of conducting polymers are achieved by selectively capturing single-walled carbon nanotubes (SWNTs) in a conducting polymer film, leading to increased carrier mobility and reduced thermal conductivity. The resulting composite film exhibits significantly higher electrical conductivity and lower thermal conductivity compared to films with a mixture of SWNTs. This work provides a convenient and efficient method to enhance the thermoelectric properties of conducting polymers.
Review
Chemistry, Physical
Heng Wei, Weihua Li, Kareem Bachagha
Summary: This article reviews the research progress of carbon nanotube-based microwave absorbing materials (MAMs) in recent years, covering the fundamental theory, design strategies, synthesis methods, and future development directions.
Article
Chemistry, Physical
Chenguang Shi, Junlong Huang, Zongheng Cen, Tan Yi, Shaohong Liu, Ruowen Fu
Summary: This study developed a high-performance Li metal host material, which achieved dendrite-free Li deposition with a low nucleation overpotential and high Coulombic efficiencies through the combination of Ti3C2-g-PV4P sheets and Ag nanoparticles. The full cells assembled with the Li@host anode and LiFePO4 cathode exhibited high discharge capacity and excellent cycling stability, demonstrating a perspective design for future energy storage devices.
Article
Chemistry, Physical
Tomotaro Mae, Kentaro Kaneko, Hiroki Sakurai, Suguru Noda
Summary: A new partial prelithiation method for SiO/C-CNT electrodes was developed, which showed reduced irreversible capacity and achieved high energy densities with good reversibility. The method allows for precise control of the degree of prelithiation and is applicable to various chemistries.