Article
Nanoscience & Nanotechnology
Shaohua Chen, Larissa Gorbatikh, David Seveno
Summary: By conducting large-scale molecular dynamics simulations, this study reveals that covalently bonding large-sized graphene nanosheets together can significantly enhance the thermal conductivity of polymer composites. The improved thermal conductivity of the composite is attributed to more heat being conducted through the graphene structure and less heat dissipating back into the polymer matrix through the graphene-polymer interface. This finding provides insights into the physical mechanism of thermal conductivity enhancement and offers potential applications in developing highly efficient thermal interface materials.
ACS APPLIED NANO MATERIALS
(2021)
Article
Chemistry, Physical
Kun Zheng, Dan Wang, Leijiao Duo, Fangyuan Sun, Zongbo Zhang, Yifan He, Pengfei Li, Yongmei Ma, Caihong Xu
Summary: The study proposes a new strategy to improve the performance of Cu/epoxy composite by preparing a dense silica interfacial layer containing specific reactive groups, enhancing thermal conductivity and dielectric performance.
SURFACES AND INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Qingwei Yan, Fakhr E. Alam, Jingyao Gao, Wen Dai, Xue Tan, Le Lv, Junjie Wang, Huan Zhang, Ding Chen, Kazuhito Nishimura, Liping Wang, Jinhong Yu, Jibao Lu, Rong Sun, Rong Xiang, Shigeo Maruyama, Hang Zhang, Sudong Wu, Nan Jiang, Cheng-Te Lin
Summary: In this study, a 120 mu m-thick freestanding film composed of vertically aligned, covalently bonded graphene nanowalls (GNWs) was grown by mesoplasma chemical vapor deposition. With silicone filling, the fabricated adhesive TIMs showed a high through-plane thermal conductivity of 20.4 W m(-1) K-1 at a low graphene loading of 5.6 wt%, achieving cooling efficiency approximately 1.5 times higher than commercial TIMs. The TIMs strike a balance between high thermal conductivity and small bond line thickness, providing superior cooling performance for high-power LED chips.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Chemistry, Physical
Xujie Jin, Xiaoyuan Wang, Rongyao Wu, Yang Gao, Yabin Yan, Fuzhen Xuan
Summary: This article investigated the structural and electronic properties of bilayer borophene with different rotation angles using first-principles calculations. The study revealed changes in stability, interlayer spacing, interlayer pi-bonds, energy band structures, and band gap sizes, highlighting the presence of a Dirac-like cone at 83.1 degrees rotation angle.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Alessandro Di Pierro, Bohayra Mortazavi, Hamidreza Noori, Timon Rabczuk, Alberto Fina
Summary: The study investigated the effective thermal conductivity of polymer nanocomposites with graphene and borophene as nanofillers using multi-scale modeling. The results showed that improving the bonding between fillers and polymer can significantly enhance the thermal conductivity. Despite lower thermal conductivity, borophene has the potential to enhance thermal conductivity in polymer nanocomposites.
Article
Materials Science, Multidisciplinary
Hassan Y. Albuhairan, H. M. Abdullah, U. Schwingenschlogl
Summary: We used a four-band continuum model to examine transport and confinement in an n-p-n junction in bilayer chiral borophene, exploring both identical- and opposite-chirality configurations. Our findings showed the presence of topological states in domain walls of opposite-chirality bilayer chiral borophene. An interlayer bias affected the conductance of the identical-chirality configuration but not the opposite-chirality configuration, leading to layer localization of bound and topological states.
Article
Chemistry, Physical
Ankur Chaurasia, Kaushlendra Kumar, S. P. Harsha, Avinash Parashar
Summary: This experimental study aimed to enhance the mechanical and thermal properties of BN nanosheet-reinforced high-density polyethylene by functionalizing its interface. Chemical modification of BN nanosheets with silane functional groups improved the load transfer at the interface and led to significant improvements in the tensile and flexure strength of the nanocomposites. The type of interfacial bonding, BN weight percent, and operating temperature also affected the thermal conductivity of the nanocomposites.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Physics, Multidisciplinary
Juan Yang, Xing Yu, Zhizhou Yu, Lifa Zhang
Summary: Borophene, a new member of the two-dimensional material family, exhibits extremely low thermal conductivity which benefits the efficiency of the Seebeck effect in thermoelectric devices. The spin-dependent thermoelectric transport in a Co-salophene molecule sandwiched between two semi-infinite borophene nanoribbon electrodes shows excellent spin-filter efficiency, suggesting potential applications in spin caloritronics.
Article
Physics, Multidisciplinary
Ali Ebadi, Mehran Gholipour Shahraki, Saeed Ghorbanali
Summary: In this study, the lattice thermal conductivity and thermal anisotropy of alpha' and alpha'-4H borophene structures were investigated using a reactive molecular dynamics method. The results show that hydrogenation enhances the lattice thermal properties of alpha' borophene monolayer, and both alpha' and alpha'-4H structures have high anisotropy in lattice thermal conductivity.
Article
Thermodynamics
Linfeng Yu, Yu Tian, Xiong Zheng, Huimin Wang, Chen Shen, Guangzhao Qin
Summary: This study revealed a counterintuitive phenomenon of significantly increased thermal conductivity after activating lone-pair electrons, with competition among different materials leading to high sensitivity of thermal transport to structural adjustments.
INTERNATIONAL JOURNAL OF THERMAL SCIENCES
(2022)
Article
Multidisciplinary Sciences
Shobair Mohammadi Mozvashi, Mojde Rezaee Givi, Meysam Bagheri Tagani
Summary: This study investigates the mechanical and electronic properties of bilayer borophene using first-principles calculations. The results reveal that the interlayer interactions in bilayer borophene involve both van der Waals and covalent bonding. The study also shows that the substrate and stacking method significantly affect the stability and mechanical properties of bilayer borophene.
SCIENTIFIC REPORTS
(2022)
Article
Optics
Min Cheng, Ping Fu, Shengyu Chen
Summary: In this study, the photonic spin Hall effect (PSHE) in bilayer borophene metasurfaces was theoretically investigated. The transmitted beams exhibited giant PSHE shifts, which could be flexibly controlled by adjusting parameters such as the twist angle of metasurface bilayers, incident angle, spacer refractive index, and thickness. The magnitude of PSHE shifts in bilayer borophene metasurfaces was generally on the order of tens to hundreds of wavelengths near the topological transition and even near the epsilon-near-zero (ENZ) regions. By tuning the ribbon width of borophene metasurface or the electron density, the manipulation frequency range of the large PSHE shifts could achieve hundreds of terahertz or even picohertz. The ultrahigh sensitivity of the PSHE shifts to spacer refractive index in bilayer borophene metasurfaces can be utilized for designing high-performance refractive index sensors.
Article
Physics, Applied
Yirui Lu, Lei Yan, Shafqat Hussain, Mengtao Sun, Zhenglong Zhang, Hairong Zheng
Summary: Tip enhanced Raman spectra of AB-stacked bilayer graphene and twisted bilayer graphene nanofragments have been studied. A unique Raman band G(r)(+) is observed and can be tuned by the twisted angle.
APPLIED PHYSICS LETTERS
(2022)
Article
Chemistry, Physical
Chenchen Lu, Zhi-hui Li, Shanchen Li, Zhen Li, Yingyan Zhang, Junhua Zhao, Ning Wei
Summary: The recent groundbreaking experiment led to the development of new ultrastrong Carbon/Carbon composites by covalently bonding graphene and nanodiamond, endowing the composites with spectacular high strength and exceptional properties. Non-equilibrium molecular dynamic simulations were conducted to examine the interfacial thermal conductance of graphite-diamond structures, considering the effects of size, environmental temperature, interfacial atomic structures, and tensile strain. The study provides valuable insights into the heat transport properties of these newly developed Carbon/Carbon composites, revealing the independence of interfacial thermal conductance on graphene size and its dependence on the length of diamond in the heat transport direction.
Article
Chemistry, Multidisciplinary
Shabas Ahammed Abdul Jaleel, Taehun Kim, Seunghyun Baik
Summary: This study reports on leakage-free healable PCM TIMs with extraordinarily high thermal conductivity and low total thermal resistance. A matrix material called OP was synthesized by functionalizing octadecanol PCM with a polymer through a nucleophilic epoxy ring opening reaction. The introduction of thermally conductive fillers, silver flakes and multiwalled carbon nanotubes decorated with silver nanoparticles, further enhanced the thermal properties of the PCM TIMs. The OP-Ag-nAgMWNT material showed excellent heat dissipation and recycling abilities, making it a promising future TIM for thermal management.
ADVANCED MATERIALS
(2023)
Article
Physics, Applied
Dan Qin, Zhengting Jiang, Peng Yan, Qihong Wu, Guangqian Ding
Summary: Researchers investigated the potential application of monolayer VS2 and VCl2 in spintronic devices using first-principles calculations and non-equilibrium Green's function. They found that monolayer VS2 exhibits superior spin Seebeck effect, monolayer VCl2 is an excellent platform for realizing spin valves with high magnetoresistance ratio, and the VS2-VCl2 heterostructure shows an excellent spin diode effect.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Rongkun Liu, Yanxiao Hu, Chunbao Feng, Guangqian Ding, Gang Zhang, Dengfeng Li
Summary: This study theoretically investigates the thermal transport and thermoelectric properties of Rb2PdX6 (X = Cl, Br) and finds that these materials exhibit good thermal conductivity and thermoelectric performance, especially Rb2PdBr6, which shows potential for high performance.
Article
Materials Science, Multidisciplinary
Guangqian Ding, Jianhua Wang, Zhi-Ming Yu, Zeying Zhang, Wenhong Wang, Xiaotian Wang
Summary: In this paper, BaNiIO6 is shown to host fully spin-polarized single-pair Weyl points (SP-WPs) with a charge number of +/- 2 and a type-III band dispersion around the Fermi level. The SP-WPs induce double-helicoid Fermi arcs on the (10 (1) over bar0) surface. Additionally, the BaNiIO6 system can host six additional type-II WPs with a charge number of 1 under certain strain conditions.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Physics, Applied
Ying Yang, Feng Zhou, Jianhua Wang, Ying Liu, Yuting Cui, Guangqian Ding, Xiaotian Wang
Summary: We report on the phonon dispersion in a realistic material, NaHPO3NH2, which exhibits unique phonon-based Weyl points. These include C-3 and C-1 Weyl points, as well as an hourglass C-3 Weyl complex and a topologically charged Weyl point-surface system. The presence of these Weyl points in NaHPO3NH2 results in the emergence of clean and long phononic double and sextuple-helicoid surface states on specific crystal surfaces.
APPLIED PHYSICS LETTERS
(2023)
Article
Physics, Applied
Jianghua Li, Minquan Kuang, Jingbo Bai, Guangqian Ding, Hongkuan Yuan, Chengwu Xie, Wenhong Wang, Xiaotian Wang
Summary: In this Letter, we propose that the NiZrCl6 monolayer is a 2D ferromagnetic material with rich second-order topological phases (SOTPs). The SOTP nature in the NiZrCl6 monolayer is resistant to the spin-orbit coupling effect. This finding is important for exploring higher-order topological phases in 2D magnetic and phononic systems.
APPLIED PHYSICS LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Mingmin Zhong, Haibo Liu, Jianhua Wang, Chengwu Xie, Hongkuan Yuan, Zeying Zhang, Guangqian Ding, Xiaotian Wang, Gang Zhang
Summary: This work provides an exhaustive list of valley linear Weyl point (LWP) phonons at high-symmetry points (HSPs) in 2D by searching the entire 80 layer groups (LGs). The authors identified the existence of valley LWP phonons in 11 2D material candidates with 11 LGs, offering a method to search for valley LWP phonons in 2D phononic systems.
Article
Materials Science, Multidisciplinary
Ying Yang, Jianhua Wang, Ying Liu, Yuting Cui, Guangqian Ding, Xiaotian Wang
Summary: In this study, seven different crystal structures of Cs-Te binary systems were discovered using symmetry analyses and first-principles calculations. These systems can host various symmetry-enforced topologically nontrivial phonons, such as Dirac point phonons, Weyl point phonons, quadratic contact triple point phonons, and nodal line phonons. The relationship between crystal structure and topological properties was thoroughly investigated, and the Cs-Te binary systems exhibited phononic surface states suitable for experimental detections.
Article
Materials Science, Multidisciplinary
Jianhua Wang, Hongkuan Yuan, Wenhong Wang, Guangqian Ding, Xiao-Ping Li, Xiaotian Wang
Summary: In this study, a novel topological material, P6322-type BaNiIO6, with spin-polarized Weyl points and surface arcs is proposed. The material shows high stability under strain and interaction, making it a promising candidate for spintronics and topological physics applications.
Article
Materials Science, Multidisciplinary
Guangqian Ding, Chengwu Xie, Jialin Gong, Jianhua Wang, Jingbo Bai, Wenhong Wang, Dengfeng Li, Xiao-Ping Li, Xiaotian Wang
Summary: Semiconductors have been recognized as potential thermoelectric materials that can possess topological phonon modes, which can significantly influence their properties. Identifying and understanding these topological phonons in semiconductors is crucial for future research. This study successfully proposes a series of semiconductors as excellent candidates for hosting various exotic topological phonons, revealing their ubiquitous existence. Furthermore, these diverse types of topological phonons induce rich phononic surface modes, making them advantageous for surface physics research.
Article
Chemistry, Physical
Qihong Wu, Rongkun Liu, Zhanjun Qiu, Dengfeng Li, Jie Li, Xiaotian Wang, Guangqian Ding
Summary: In this study, spintronic devices based on Cr3X4 (X = Se, Te) monolayers were designed and their spin transport properties were investigated. The Cr3Te4 monolayer showed spin filtering and a dual-spin diode effect, while the Cr3Se4 monolayer was an excellent platform for a spin valve. Interestingly, the Cr3Se4 monolayer based device also exhibited a negative differential resistance effect and a high magnetoresistance ratio. These findings highlight the potential of Cr3X4 (X = Se, Te) monolayers in spintronic applications and provide realistic materials for nanoscale spintronic devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Guangqian Ding, Tingting Sun, Gokhan Surucu, Ozge Surucu, Aysenur Gencer, Xiaotian Wang
Summary: This study reports the coexistence of open and closed nodal line phonons in two realistic solids and demonstrates the formation of a complex nodal structure in momentum space. Phononic surface states occur in the projected surfaces, benefiting experimental detection. The results are considered a breakthrough in demonstrating the coexistence of different nodal line states in phonons.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Guangqian Ding, Feng Zhou, Zeying Zhang, Zhi-Ming Yu, Xiaotian Wang
Summary: Recently, charge-two Weyl point phonons (WPPs) have gained increasing attention. The study proposes a realistic material, BaZnO2, which has a unique triangular Weyl complex consisting of three unpaired WPPs. BaZnO2 not only serves as an excellent platform for further research into phonon physics and applications but also reveals other materials with similar characteristics.
Article
Chemistry, Physical
Guangqian Ding, Tingting Sun, Xiaotian Wang
Summary: This paper presents the occurrence of ideal nodal-net, nodal-chain, and nodal-cage phonons in realistic materials based on first-principle calculations, and highlights the clean phonon bands and phonon surface states that can be easily detected in experiments. It provides an ideal platform for realizing complex geometric shapes formed by nodal lines in the momentum space of phonons.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Review
Materials Science, Multidisciplinary
Guangqian Ding, Jianhuan Wang, Hong Chen, Xiaoming Zhang, Xiaotian Wang
Summary: Nodal line spin-gapless semiconductors (NLSGSs) are a new type of spintronic material with unique physical properties and potential applications. This review summarizes almost all predicted NLSGSs in the last three years and provides suggestions for future theoretical design.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
