Article
Multidisciplinary Sciences
Sichi Li, Harini Gunda, Keith G. Ray, Chun-Shang Wong, Penghao Xiao, Raymond W. Friddle, Yi-Sheng Liu, ShinYoung Kang, Chaochao Dun, Joshua D. Sugar, Robert D. Kolasinski, Liwen F. Wan, Alexander A. Baker, Jonathan R. I. Lee, Jeffrey J. Urban, Kabeer Jasuja, Mark D. Allendorf, Vitalie Stavila, Brandon C. Wood
Summary: Layered boron compounds have attracted significant interest in applications due to their diverse surface properties tied to specific arrangements of boron atoms. This work utilizes first-principles calculations and global optimization to reveal the disordering and clustering of boron atoms on the outer surface of MgB2 nanosheets, which is experimentally confirmed. The findings suggest that multiple disordered reconstructions are thermodynamically preferred and accessible on exposed B surfaces in MgB2 and other layered metal diborides, providing new opportunities for the realization of diverse 2D boron structures.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Yufei Zhang, Lei Wu, Aijaz Ahmed Babar, Xinglei Zhao, Xianfeng Wang, Jianyong Yu, Bin Ding
Summary: This work presents a biomimetic nanofibrous membrane water harvester with a highly ordered honeycomb structure, featuring super flexibility, high tensile strength, superior elasticity, and excellent moisture absorption performance for efficient water collection.
Article
Materials Science, Multidisciplinary
G. Sala, J. Y. Y. Lin, A. M. Samarakoon, D. S. Parker, A. F. May, M. B. Stone
Summary: A detailed analysis of the ferrimagnetic ground state of Mn3Si2Te6 using inelastic neutron scattering has been conducted in this study. The study reveals the existence of exchange anisotropy in Mn3Si2Te6, indicating a weak spin-orbit coupling in the material. The research employs a detailed simulation of the spin-wave spectrum and traditional refinement techniques, along with Monte Carlo simulations, to accurately determine the exchange couplings. The results are independently validated through a comparison with heat capacity measurements.
Article
Chemistry, Multidisciplinary
Leonie Spitz, Takuya Nomoto, Shunsuke Kitou, Hironori Nakao, Akiko Kikkawa, Sonia Francoual, Yasujiro Taguchi, Ryotaro Arita, Yoshinori Tokura, Taka-hisa Arima, Max Hirschberger
Summary: This article investigates the impact of configurational entropy on crystallization processes. It finds that different layer sequences have similar internal energies, with the eight-period stacking sequence favored by the influence of configurational entropy.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Materials Science, Ceramics
Chuanyao Dong, Xuan Dai, Tianshu Lv, Yiwei Li, Wentao Zhang, Sirui Xu, Mao Wen, Kan Zhang
Summary: The challenge of protecting marine equipment from corrosion, wear, and microbial adhesion requires advanced protective coatings. This study presents the development of a high-performance protective coating material with a unique structure that combines hard, anti-corrosive TaB2 phase with a self-lubricating amorphous carbon (a-C) phase. The coating exhibits enhanced tribological, corrosion and tribocorrosion performances, making it suitable for harsh marine environments.
CERAMICS INTERNATIONAL
(2023)
Article
Multidisciplinary Sciences
Shengru Chen, Qinghua Zhang, Xujing Li, Jiali Zhao, Shan Lin, Qiao Jin, Haitao Hong, Amanda Huon, Timothy Charlton, Qian Li, Wensheng Yan, Jiaou Wang, Chen Ge, Can Wang, Baotian Wang, Michael R. Fitzsimmons, Haizhong Guo, Lin Gu, Wen Yin, Kui-juan Jin, Er Jia Guo
Summary: In this study, a unit-thick syntactic layer of cobaltites was constructed within a strongly tilted octahedral matrix through atomically precise synthesis. The tilting patterns of the octahedral matrix propagated into the cobaltites and induced severe rumpling within neighboring layers, triggering electronic reconstruction and resulting in robust ferromagnetism. This work demonstrates a design methodology for fine-tuning lattice and spin degrees of freedom in correlated quantum heterostructures through epitaxial geometric engineering.
Article
Chemistry, Multidisciplinary
Wei-Hao Hsu, Ing-Shouh Hwang
Summary: This study used transmission electron microscopy to investigate the microstructure of degassed water, deionized water, and gas-supersaturated water, revealing two major structures in the latter and the surprising discovery of clathrate-like water crystalline structures. The findings suggest that water may play a more active role in interacting with gas molecules than previously thought.
Article
Materials Science, Multidisciplinary
Shenyi Gao, Limin Song, Wenchao Yan, Yichi Wang, Shiqi Xia, Liqin Tang, Daohong Song, Jingjun Xu, Zhigang Chen
Summary: This study demonstrates a photonic honeycomb lattice with two singular flat bands, showing two distinct robust boundary modes associated with each flat band. These findings provide an important model platform for studying flatband phenomena and topological insulating phases in optics and other fields.
ADVANCED OPTICAL MATERIALS
(2022)
Article
Chemistry, Physical
Lina Wang, Lei Shi, Qi Liu, Yalan Huang, Wensheng Yan, Xiao Liang, Xiao Zhao, Hui Chen, Xiaoxin Zou
Summary: We report the synthesis and characterization of honeycomb layered strontium iridate (SrIr2O6) as an efficient electrocatalyst for the acidic oxygen evolution reaction (OER) with robust structural stability. Unlike most iridate catalysts, SrIr2O6 can maintain its crystalline structure during OER instead of forming an amorphous active phase. The edges of SrIr2O6 demonstrate high catalytic activity for OER following the adsorbate evolution mechanism, while the basal planes are catalytically inert. SrIr2O6 exhibits about 10-fold higher intrinsic activity than the benchmark catalyst IrO(2), with minimal iridium leaching (approximately 0.03%) and long-term catalytic stability for over 300 hours.
Article
Chemistry, Multidisciplinary
Runhan Li, Ning Mao, Xinming Wu, Baibiao Huang, Ying Dai, Chengwang Niu
Summary: This study proposes the emergence of robust magnetic topological insulators in two-dimensional ferromagnets, regardless of magnetization directions. The 2H-RuCl2 and Janus VSSe monolayers are identified as experimentally feasible candidates of such insulators. It is also found that the valley polarization of SOTIs can be significantly greater than that of known ferrovalley materials under out-of-plane magnetization.
Article
Materials Science, Multidisciplinary
Yiming Zhang, Xuanhao Yuan, Jian Hao, Meiling Xu, Yinwei Li
Summary: This article introduces a new method to achieve high superconductivity in borophene by assembling layered boron sheets between kagome and honeycomb boron layers. A tri-layer borophene, named hP8-B, is designed and shows high superconductivity with an estimated Tc of 35.6 K, the highest among all elemental 2D materials. The high Tc is mainly contributed by the strong coupling of sigma-bonding electrons of the kagome layers and in-plane vibrational modes. Electronic band structure calculations indicate the existence of a Dirac cone near the Fermi level, suggesting that hP8-B may be a potential topological superconductor. The superconductivity of hP8-B can be enhanced to 46.4 K under a biaxial tensile strain of 3% and doping density of 0.0375 holes per atom, due to the softening of the in-plane vibrational modes.
MATERIALS TODAY PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Jianpei Xing, Xue Jiang, Zhifeng Liu, Yan Qi, Jijun Zhao
Summary: We discovered a family of two-dimensional oxalate-based metal-organic frameworks (MOFs) with robust spin-polarized Dirac cones. The 2D MOFs of Ni-2(C2O4)(3) and Re-2(C2O4)(3) exhibit intrinsic Dirac spin gapless semiconductor properties, large magnetic moments, high Curie temperatures, and large perpendicular magnetic anisotropy. Furthermore, Re-2(C2O4)(3) displays a topologically nontrivial band gap resulting from spin-orbit coupling.
Article
Chemistry, Physical
Maryam Beyhaghi, Jonathan Hobley, Mehdi Rouhani, Yeau-Ren Jeng
Summary: This study compared the oxidation behavior of Inconel-718 alloy manufactured by selective laser melting (SLM-IN718) with a commercially available sample (Comm-IN718). The results showed that the primary grain morphology of the alloy plays a crucial role in the formation and rupture of the passivating chromia layer. The well-defined quasi-honeycomb primary grain morphology of Comm-IN718 led to a thin oxide layer with a favorable stress distribution, while the poorly defined dendritic grain morphology of SLM-IN718 resulted in a thicker oxide scale with an unfavorable stress distribution.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Yuudai Iwai, Manabu Nakaya, Hiroyoshi Ohtsu, Benjamin Le Ouay, Ryo Ohtani, Masaaki Ohba
Summary: This article presents the unique thermal expansion behavior of a cyanide-bridged honeycomb layer material, including zero thermal expansion, in-plane anisotropy, and complementary structural changes in the cation and anion counterparts.
Article
Chemistry, Multidisciplinary
Le Qin, Zhi-Hao Zhang, Zeyu Jiang, Kai Fan, Wen-Hao Zhang, Qiao-Yin Tang, Hui-Nan Xia, Fanqi Meng, Qinghua Zhang, Lin Gu, Damien West, Shengbai Zhang, Ying-Shuang Fu
Summary: By using molecular beam epitaxy on a graphene-covered SiC substrate, the successful growth of 2D AlSb in a double-layer honeycomb structure was reported here, showing a band gap smaller than its bulk counterpart. This demonstration of growth feasibility suggests a potential for a large family of 2D DLHC traditional semiconductors with characteristic excitonic, topological, and electronic properties.
Article
Multidisciplinary Sciences
Wuhao Chen, Dmitrii Semenok, Alexander G. Kvashnin, Xiaoli Huang, Ivan A. Kruglov, Michele Galasso, Hao Song, Defang Duan, Alexander F. Goncharov, Vitali B. Prakapenka, Artem R. Oganov, Tian Cui
Summary: The study found a new superhydride, BaH12, in the barium-hydrogen system with metallic properties and superconductivity below 1.5 Mbar. This compound contains H-2 and H-3(-) molecular units and detached H-12 chains.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Ji-Chao Cheng, Ling-Yun Pan, Xiao-Li Huang, Yan-Ping Huang, Ying-Hui Wang, Shu-Ping Xu, Fang-Fei Li, Zhi-Wei Men, Tian Cui
Summary: This study explores the effect of interparticle spacing on CdSe/ZnS quantum dots (QDs) and finds that reducing the spacing has a stronger impact on exciton relaxation than enhancing the quantum confinement effect. Adjusting interparticle spacing using high pressure may expand the application of QDs further.
Editorial Material
Chemistry, Physical
Mingyang Du, Zihan Zhang, Hao Song, Hongyu Yu, Tian Cui, Vladimir Z. Kresin, Defang Duan
Summary: Our paper focuses on the hydrogen compound MoH11, emphasizing the key role of optical phonons in the strength of the pairing interaction, leading to a diminishing role of umklapp processes in the compound of interest.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Physics, Multidisciplinary
Zhao Liu, Quan Zhuang, Fubo Tian, Defang Duan, Hao Song, Zihan Zhang, Fangfei Li, Hongdong Li, Da Li, Tian Cui
Summary: The study combines electride state and superconductivity, revealing a new category of conventional superconductors. A method is designed to identify superconducting electrides based on chemical compositions and bonding characteristics. The high T-c value is attributed to strong electron-phonon coupling effects in the electride compound, contrary to common expectations.
PHYSICAL REVIEW LETTERS
(2021)
Article
Multidisciplinary Sciences
Yan Liu, Rui Wang, Zhigang Wang, Da Li, Tian Cui
Summary: In this study, the authors report the prediction of a nitrogen-rich iodine nitride compound (IN6) with an unusual twelve-fold coordination of the iodine atom under high pressure. They discovered the existence of a hypercoordinated IN6 compound composed of N-6 rings and an unusual iodine-nitrogen covalent bond network using particle swarm optimization method and first-principles calculations. The formation of twelve-fold iodine hypercoordination is facilitated by the presence of high pressure and N-6 rings. The findings also suggest that halogen elements with lower atomic numbers have weaker valence expansion propensity in halogen nitrides.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Yue Liu, Tian Cui, Da Li
Summary: This study investigates the mechanism and factors influencing the edge reconstruction of 1T-TMDCs, establishes a database of edge configurations, and uncovers the crystal field splitting and band structure transition induced by edge symmetry breaking. The findings have important implications for 1T-TMDC edge engineering and catalytic activity in the hydrogen evolution reaction.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Wendi Zhao, Hao Song, Mingyang Du, Qiwen Jiang, Tiancheng Ma, Ming Xu, Defang Duan, Tian Cui
Summary: Stable and metastable hydrides with high hydrogen content have been found in the Y-Zr-H ternary hydrides, which exhibit high-temperature superconductivity and outperform the binary Zr-H system. The YZrH6 compound maintains dynamic stability down to ambient pressure and has a critical temperature (Tc) of 16 K. The YZrH18 and Y3ZrH24 compounds with high hydrogen content show a high Tc of 156 K and 185 K, respectively, at 200 GPa. Phonon modes associated with hydrogen atoms significantly contribute to the electron-phonon coupling, and the hydrogen content and stoichiometric ratio of Y and Zr affect the superconductivity.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Yue Liu, Tian Cui, Da Li
Summary: We predict an unconventional (2 x 1) edge self-reconstructed pattern for 1T-TMDCs, including a novel self-reconstructed metal zigzag edge (TMZ edge) with one-dimensional metal atomic chains and Ti3 trimers. This TMZ edge occurs in group IV, V, and X 1T-TMDCs and has an energetic advantage far beyond conventional bond contraction. The unique triatomic synergistic effect leads to better catalysis of the hydrogen evolution reaction (HER) for 1T-TMDCs compared to commercial platinum-based catalysts.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Physics, Condensed Matter
Xin Li, Xiaoli Huang, Tian Cui
Summary: This study investigates the behavior of ruthenium hydrides under high-pressure conditions using laser-heated diamond anvil cells. RuH0.9 synthesis gradually occurs above a pressure of 23.5 GPa in the ambient temperature path, while RuH is successfully synthesized at pressures above 20 GPa and a temperature of 1500 K. High-temperature conditions reduce the pressure required for synthesis. The results show that hydrogen absorption in the ruthenium hydrides saturates and octahedral interstitial sites are completely occupied in the high-temperature path.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Multidisciplinary Sciences
Wuhao Chen, Xiaoli Huang, Dmitrii V. Semenok, Su Chen, Di Zhou, Kexin Zhang, Artem R. Oganov, Tian Cui
Summary: This study successfully synthesized hcp-(La,Ce)H9-10 at 113GPa and observed high-temperature superconductivity at 176K and 100GPa, with an extrapolated upper critical field of 235T. The superconducting properties of La-Ce-H were significantly enhanced compared to the binary La-H and Ce-H compounds, indicating the potential of solid solution for improving superconductors.
NATURE COMMUNICATIONS
(2023)
Article
Engineering, Electrical & Electronic
Xiaoxue Shang, Dan Xu, Tian Cui, Da Li
Summary: Through first-principles calculations, a novel two-dimensional graphene allotrope called cto-graphene was designed, which consists of triangular and octagonal carbon rings. Cto-graphene is a metallic and anisotropic graphene allotrope with a band gap of 0.99 eV. The calculated hole mobilities are 7.3 x 10(4) and 1.3 x 10(4) cm(2) V-1 s(-1) along the armchair and zigzag directions, respectively. With exceptional carrier mobility and superior optical performance, cto-graphene shows great potential for future field-effect transistors, optical solar cells, and optoelectronic devices.
ACS APPLIED ELECTRONIC MATERIALS
(2023)
Article
Chemistry, Physical
Yue Liu, Tian Cui, Da Li
Summary: A novel (2 x 1) edge self-reconstructed pattern is predicted for 1T-TMDCs, uncovering a unique triatomic synergistic effect that leads to better catalysis of the hydrogen evolution reaction. This study provides a new strategy for maximizing the catalytic efficiency of 1T-TMDCs by using atomic edge engineering.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Yuchen Zhang, Xiaoli Huang, Yansun Yao, Zihan Zhang, Fubo Tian, Wuhao Chen, Su Chen, Shuqing Jiang, Defang Duan, Tian Cui
Summary: Topological semimetals exhibit novel quantum states and interesting Fermi surfaces. ZnN4 is a newly discovered Dirac nodal-line semimetal with unique crystal structure and electrical properties. This finding provides a unique example of Dirac nodal-line semimetal in nitrides.
Article
Chemistry, Physical
Hui Xie, Tianxiao Liang, Tian Cui, Xiaolei Feng, Hao Song, Da Li, Fubo Tian, Simon A. T. Redfern, Chris J. Pickard, Defang Duan
Summary: K2SiH6 is a promising hydrogen storage material with high hydrogen density and appropriate dehydrogenation temperature. Other potential hydrogen storage materials have also been found, which require further investigation under high pressure.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Shufan Jia, Qiang Zhou, Fangfei Li, Yuxin Hu, Chenning Wang, Xiaohan Wang, Songying He, Xinyang Li, Liang Li, Tian Cui
Summary: In this study, TiNb2O7 single crystals were grown by the optical floating zone method and the bandgap of TiNb2O7 was modified through high-pressure engineering. The pressure-dependent properties and structure information of TiNb2O7 crystals under compression were characterized using in situ Raman spectroscopy and angle dispersive synchrotron radiation X-ray diffraction. The crystals became amorphous during compression and remained amorphous under ambient conditions.
