Article
Materials Science, Multidisciplinary
Haiyang Yang, Yonghui Zhou, Liangyu Li, Zheng Chen, Zhuyi Zhang, Shuyang Wang, Jing Wang, Xuliang Chen, Chao An, Ying Zhou, Min Zhang, Ranran Zhang, Xiangde Zhu, Lili Zhang, Xiaoping Yang, Zhaoron Yang
Summary: In this study, we report the discovery of pressure-induced superconductivity in quasi-one-dimensional compound Ta2PdSe6 through a combination of electrical transport, synchrotron x-ray diffraction, and theoretical calculations. The superconductivity in Ta2PdSe6 appears at a critical pressure of around 18.3 GPa and remains stable up to 62.6 GPa. Anomalies in pressure-dependent transport properties, such as sign reversal of Hall coefficient, enhanced resistance, and suppressed magnetoresistance, are observed concomitant with the occurrence of superconductivity. Synchrotron x-ray diffraction experiments confirm the stability of the structure upon compression, and density functional theory calculations suggest that a pressure-induced Lifshitz transition could be the electronic origin of the emergent superconductivity in Ta2PdSe6.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Physics, Multidisciplinary
Mei-Guang Zhang, Lei Chen, Long Feng, Huan-Huan Tuo, Yun Zhang, Qun Wei, Pei-Fang Li
Summary: Motivated by recent experiments, the pressure-induced structural transitions of 2D 1T-HfTe2 were investigated up to 50 GPa using advanced CALYPSO structure search technique and first-principles calculations. It was found that 1T-HfTe2 first transformed to the C2/m phase at 3.6 GPa with a volume reduction of 7.6% and then to the P (6) over bar 2m phase at 9.6 GPa with a volume collapse of 4.6%. These transitions were mainly caused by enhanced Te-Te interlayer coupling and drastic distortions of Hf-Te polyhedrons under compression. The coordination number of Hf atoms increased from six in P (3) over bar m1 to eight in C2/m and eventually to nine in P (6) over bar 2m at elevated pressure. The metallic and semimetallic nature of C2/m and P (6) over bar 2m phases were characterized, and strengthened covalent interactions between Te-Hf and Te-Te orbitals were evidenced by atom-projected electronic DOS and Bader charge.
Article
Chemistry, Multidisciplinary
Oleg E. Parfenov, Alexander N. Taldenkov, Dmitry V. Averyanov, Ivan S. Sokolov, Oleg A. Kondratev, Mikhail M. Borisov, Sergey N. Yakunin, Igor A. Karateev, Andrey M. Tokmachev, Vyacheslav G. Storchak
Summary: Silicene, a Si-based analogue of graphene, has exceptional properties but high chemical reactivity, making it challenging to work with. This study demonstrates that the number of monolayers in the compound SrSi2 controls the electronic state. By synthesizing films of different thicknesses and using various characterization techniques, the researchers reveal the evolution of the electronic behavior from bulk to ultrathin films.
MATERIALS HORIZONS
(2022)
Article
Chemistry, Multidisciplinary
Christian Martella, Chiara Massetti, Daya Sagar Dhungana, Emiliano Bonera, Carlo Grazianetti, Alessandro Molle
Summary: Due to their superior mechanical properties, 2D materials have gained interest as active layers in flexible devices co-integrating electronic, photonic, and straintronic functions altogether. Silicene-based bendable membranes have been successfully developed by detaching the layers from the native substrate and transferring them onto flexible substrates. These membranes exhibit strain-responsive behavior in the Raman spectrum of silicene and can form microscale wrinkles under elastic tension relaxation. Moreover, they show curvature-dependent heat dispersion and can be readily introduced into lithographic processes to create flexible device-ready architectures.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Pedro P. Ferreira, Lucas E. Correa, Leandro R. de Faria, Vitor M. Fim, Mario S. da Luz, Milton S. Torikachvili, Christoph Heil, Luiz T. F. Eleno, Antonio J. S. Machado
Summary: We investigated high-quality single crystals of ZrTe1.8 grown from isothermal chemical vapor transport, and found that the Te-deficient ZrTe1.8 exhibits superconductivity below 3.2 K. The temperature dependence of the upper critical field suggests an electron-phonon two-gap superconducting model with strong intraband coupling. The Seebeck potential measurements reveal that the charge carriers in ZrTe1.8 are predominantly negative. First-principles calculations show that the Te deficiency in ZrTe2 leads to density of states peaks at the Fermi level, promoting electronic instabilities and increasing the critical temperature.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Inorganic & Nuclear
Enlai Dong, Ran Liu, Shifeng Niu, Xuan Luo, Kuo Hu, Hui Tian, Bo Liu, Xiaodong Li, Yanchun Li, Xuebin Zhu, Quanjun Li, Bingbing Liu
Summary: The study investigated the structural evolution and physical properties of nodal-line semimetal ZrSiSe under pressure, observing an isostructural electronic transition at around 6 GPa and a transformation from the original tetragonal phase to an orthorhombic phase at approximately 13 GPa. Analysis of the electronic band structure suggested that significant changes in the Fermi surface contributed to the occurrence of the electronic transition. These results provide new insights into the structure and properties of ZrSiSe.
INORGANIC CHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
Minoosh Hemmat, Sabrine Ayari, Martin Micica, Hadrien Vergnet, Shasha Guo, Mehdi Arfaoui, Xuechao Yu, Daniel Vala, Adrien Wright, Kamil Postava, Juliette Mangeney, Francesca Carosella, Sihem Jaziri, Qi Jie Wang, Zheng Liu, Jerome Tignon, Robson Ferreira, Emmanuel Baudin, Sukhdeep Dhillon
Summary: Platinum diselenide (PtSe2) is a 2D material with tunable bandgap, making it promising for THz range applications. By generating ultrafast photocurrents and manipulating the bandstructure valleys, we show that controlled THz nonlinearity can be achieved in polycrystalline PtSe2. Additionally, we demonstrate layer-dependent circular dichroism, where the phase of the emitted THz pulse can be controlled through excitation of different bandstructure valleys.
Article
Nanoscience & Nanotechnology
P. Homm, M. Menghini, J. W. Seo, S. Peters, J-P Locquet
Summary: The study demonstrates a room temperature Mott metal-insulator transition in 1.5% Cr-doped and pure V2O3 thin films by controlling phase transitions through epitaxial strain. The engineered in-plane lattice constant serves as a tunable parameter for stabilization of structure and properties, leading to unique features unseen in bulk materials. This approach offers a radical new way to create the next generation of Mott devices.
Article
Materials Science, Multidisciplinary
Qingzhuo Duan, Junyu Shen, Xin Zhong, Haiyan Lu, Cheng Lu
Summary: The study on the structural phase transition and superconductivity of late lanthanide ytterbium (Yb) metal under high pressure revealed the serendipitous discovery of the P6(3)/mmc phase as a superior superconductor with a critical temperature higher than other known RE elemental superconductors.
Article
Materials Science, Multidisciplinary
Hongxia Zhong, Wenqi Xiong, Pengfei Lv, Jin Yu, Shengjun Yuan
Summary: This study systematically investigates the effect of vertical strain on the electronic structure of bilayer materials, and reveals that under a certain compressive strain, semiconductor materials can transition to metallic materials due to energy shifts of electronic states. Similar transitions are observed in other strained bilayers, showing potential for strain-induced engineering of electronic properties.
Article
Nanoscience & Nanotechnology
Jingjing Luo, Mingjian Fan, Liwei Xiong, Qiaoyan Hao, Mengna Jiang, Qianjun He, Chenliang Su
Summary: The study successfully synthesized PdTe2 nanoparticles with excellent photothermal properties, encapsulated in DSPE-PEG to achieve high photothermal conversion efficiency and tumor inhibition effects. Under NIR-II laser irradiation, efficient tumor treatment of NIR-II photothermal nanoagents was achieved.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Qiao Jin, Hu Cheng, Zhiwen Wang, Qinghua Zhang, Shan Lin, Manuel A. Roldan, Jiali Zhao, Jia-Ou Wang, Shuang Chen, Meng He, Chen Ge, Can Wang, Hui-Bin Lu, Haizhong Guo, Lin Gu, Xin Tong, Tao Zhu, Shanmin Wang, Hongxin Yang, Kui-juan Jin, Er-Jia Guo
Summary: The study reveals that by controlling the film thickness of highly crystalline CrN films, a significant reduction in electrical conductivity accompanied by unexpected volume expansion can be observed. When the film thickness reaches approximately 30 unit cells, the conductivity of CrN films is greatly reduced.
ADVANCED MATERIALS
(2021)
Article
Chemistry, Physical
Xin Liang, Ding-Fu Shao, Run Lv, Rui-Chun Xiao, Hong-Yan Lv, Wen-Jian Lu, Yu-Ping Sun
Summary: Based on symmetry analyses and first-principles calculations, the predictions of topological fermions and superconductivity in Ni-intercalated transition metal chalcogenide NiTe are reported. The self-intercalation of Ni introduces nonsymmorphic symmetry operations, protecting a pair of Dirac points and three intersecting Dirac nodal lines near Fermi energy level (EF), which generate spin-textured surface states across EF. Moreover, the Ni-intercalation strongly enhances electron-phonon coupling in NiTe and makes it an anisotropic Bardeen-Cooper-Schrieffer superconductor with a full superconducting gap and a critical temperature Tc similar to 1.5 K. The coexistence of topological surface states and superconductivity implies that NiTe is a potential material platform for exploring topological superconductivity.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Multidisciplinary Sciences
Erjian Cheng, Wei Xia, Xianbiao Shi, Hongwei Fang, Chengwei Wang, Chuanying Xi, Shaowen Xu, Darren C. Peets, Linshu Wang, Hao Su, Li Pi, Wei Ren, Xia Wang, Na Yu, Yulin Chen, Weiwei Zhao, Zhongkai Liu, Yanfeng Guo, Shiyan Li
Summary: The study on magnetic topological semimetals found that magnetism-induced topological transition in EuAs3 from a topological nodal-line semimetal to a topological massive Dirac metal. The topological nature in different states was verified by electrical transport measurements and angle-resolved photoemission spectroscopy. Additionally, an extremely large magnetoresistance and a temperature-induced Lifshitz transition were observed, indicating a rich platform for exploring exotic physics.
NATURE COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
Changmeng Huan, Pu Wang, Binghan He, Yongqing Cai, Qingqing Ke
Summary: Layered hexagonal gamma-GeSe exhibits thickness-dependent conductivity, transitioning from semimetal to semiconductor. It also demonstrates superior flexibility and light absorption, making it promising for nanoelectronics and solar cell applications.
Article
Physics, Condensed Matter
Junping Hu, Chengyong Zhong, Weikang Wu, Ning Liu, Yu Liu, Shengyuan A. Yang, Chuying Ouyang
JOURNAL OF PHYSICS-CONDENSED MATTER
(2020)
Article
Physics, Multidisciplinary
Dixing Ni, Shude Liu, Musheng Wu, Xueling Lei, Bo Xu, Seong-Chan Jun, Chuying Ouyang
Article
Physics, Multidisciplinary
J. P. Ye, G. Liu, Y. Han
Article
Chemistry, Multidisciplinary
Shulin Zhong, Bo Xu, Ao Cui, Siyu Li, Susu Liao, Guoqing Wang, Gang Liu, Baozhen Sun
Article
Chemistry, Multidisciplinary
Muqin Wang, Zhe Peng, Wenwei Luo, Qiang Zhang, Zhendong Li, Yun Zhu, Huan Lin, Liangting Cai, Xiayin Yao, Chuying Ouyang, Deyu Wang
Article
Multidisciplinary Sciences
Zhiqiang Wang, Da Wang, Zheyi Zou, Tao Song, Dixing Ni, Zhenzhu Li, Xuecheng Shao, Wanjian Yin, Yanchao Wang, Wenwei Luo, Musheng Wu, Maxim Avdeev, Bo Xu, Siqi Shi, Chuying Ouyang, Liquan Chen
NATIONAL SCIENCE REVIEW
(2020)
Article
Physics, Multidisciplinary
Wei Hu, Wenwei Luo, Hewen Wang, Chuying Ouyang
Summary: This study investigates the adsorption mechanism of PC molecules on the LiMn2O4 (100) surface using spin-polarized density functional theory calculations. The findings suggest that PC molecules preferentially interact with Mn atoms via carbonyl oxygen, leading to improved surface stability and cycling performance.
Article
Engineering, Environmental
Guojun Zha, Wei Hu, Seema Agarwal, Chuying Ouyang, Naigen Hu, Haoqing Hou
Summary: By partially substituting Co with Fe, a new cathode material (Fe3-NCM871) with significantly enhanced electrochemical performance was developed. This material showed higher initial capacity, rate capacity, and cycle stability compared to the conventional cathode material NCM811. Density functional theory calculations confirmed that the improved performance was due to reduced Ni/Li exchange content and linear Ni2+-O2--Fe3+ superexchange between layers.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Jincheng Zeng, Gang Liu, Yu Han, Wenwei Luo, Musheng Wu, Bo Xu, Chuying Ouyang
Summary: The study reveals that effective n-type or p-type doping can be induced in MoSSe monolayers by noncovalent TTF or TCNQ molecular adsorption, with the doping concentration exhibiting Janus characteristics relative to the S or Se side. Furthermore, the doping effect can be flexibly tuned by biaxial strain or under external electric field.
Article
Chemistry, Physical
Jiahao Qiu, Musheng Wu, Wenwei Luo, Bo Xu, Gang Liu, Chuying Ouyang
Summary: The study evaluated the bulk properties of halide superconductors Li3MX6, finding that chlorides exhibit ideal bandgaps and excellent performance, with better properties observed with larger differences in electronegativity. Additionally, ordered Li3YCl6 and Li3YBr6 were identified as superionic conductors, but cation disorder can impede lithium ion migration.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Zihao Yang, Musheng Wu, Wenwei Luo, Gang Liu, Bo Xu
Summary: Edge reconstruction is a challenge for black phosphorus nanosheets as anodes in lithium-ion batteries, but a lateral heterostructure of black phosphorus and graphite flakes has shown potential for high-rate and high-capacity operation. In this study, the stability of the phosphorene-graphene lateral heterostructure (BP-G) was demonstrated using first-principles calculations. The strong sp(2)-hybridized bonding between phosphorus and carbon atoms in BP-G improved the electronic conductivity compared to isolated phosphorene. BP-G also exhibited strong Li adsorption and fast Li migration along the zigzag direction due to a low migration barrier. These findings provide insights into the performance of BP-G as a lithium-ion battery anode.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Materials Science, Multidisciplinary
Xingyi Wang, Kailin Luo, Lixin Xiong, Tengpeng Xiong, Zhendong Li, Jie Sun, Haiyong He, Chuying Ouyang, Zhe Peng
Summary: This study investigates the synergistic effect of functional alloying structure and Li+ solvation mediated interfacial kinetic on lithium metal protection. By constructing a Li alloy matrix with a bi-functional silver-Li3N blended interface, fast Li+ conductivity and high Li affinity can be achieved, leading to decreased nucleation and mass transfer-controlled overpotentials. Additionally, the inward diffusion depth of Li adatoms inside Ag sites can be limited by the Li+ solvation structure, thus elongating the Li protection ability of the Ag-Li3N interface.
ENERGY & ENVIRONMENTAL MATERIALS
(2023)
Article
Chemistry, Physical
Yuxiang Lian, Musheng Wu, Bo Xu, Bing He, Gang Liu, Jing Shi, Qingqiang Kuang, Hewen Wang, Chuying Ouyang
Summary: As a potential replacement for current lithium-ion batteries, all-solid-state sodium-ion batteries (ASS-SIBs) require solid electrolytes (SEs) with high sodium ionic conductivity and stability. This study investigates the potential use of Na3MCl6 (M = In and Sc) compounds, which have the same chemical formula as the candidate SEs for solid-state lithium-ion batteries (Li3MCl6), as SEs for ASS-SIBs. The researchers performed comprehensive first-principles calculations to evaluate the stabilities, mechanical properties, and diffusion mechanism of sodium ions in Na3MCl6 compounds. The results show that Na3MCl6 with the P3m1 phase exhibits excellent mechanical properties and high ionic conductivity, making it a promising SE for ASS-SIBs.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Lixin Xiong, Dixing Ni, Wan Xiong, Hewen Wang, Chuying Ouyang
Summary: The thermodynamics of phosphorus (P) doping to spinel Co3O4 were studied using first principles calculations, revealing a strong preference for P atoms to occupy Co sites over O sites. Electronic structure analysis showed that P doping brings excess electrons to the system, enhancing its electrochemical and catalytic performance.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Wenwei Luo, Hewen Wang, Zhiqiang Wang, Gang Liu, Sanqiu Liu, Chuying Ouyang
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
