Search Results - "Fang, Yimei"
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1
Strain modulated quantum spin Hall effect in monolayer NiB
Published in Applied physics letters (03-05-2021)“…Since boron has diverse coordination chemistry, it is capable of bonding with transition metals to form a new family of two-dimensional (2D) transition metal…”
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Prediction of crystal structures and motifs in the Fe–Mg–O system at Earth’s core pressures
Published in New journal of physics (01-06-2021)“…Fe, Mg, and O are among the most abundant elements in terrestrial planets. While the behavior of the Fe–O, Mg–O, and Fe–Mg binary systems under pressure have…”
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3
Quantum Spin Hall States in Stanene/Ge(111)
Published in Scientific reports (16-09-2015)“…For topological insulators to be implemented in practical applications, it is a prerequisite to select suitable substrates that are required to leave…”
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4
NiB monolayer: A topological metal with high NORR electrocatalytic perfomance
Published in Applied surface science (15-11-2023)“…2D NiB monolayer possesses high activity and selectivity toward NO reduction to NH3 at the applied potential of 0 V. [Display omitted] •The NO-to-NH3…”
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5
High-Throughput Screening of Strong Electron–Phonon Couplings in Ternary Metal Diborides
Published in Inorganic chemistry (14-11-2022)“…We perform a high-throughput screening on phonon-mediated superconductivity in a ternary metal diboride structure with alkali, alkaline earth, and transition…”
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6
Computational discovery of two-dimensional tetragonal group IV–V monolayers
Published in RSC advances (11-11-2024)“…The two-dimensional (2D) hexagonal group IV–V family has attracted significant attention due to their unique properties and potential applications in…”
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7
Effect of boron content on the electrochemical properties of layered Lix(ByC1-y)2 anodes with 5-, 6-, and 8-membered-ring structure
Published in Computational materials science (05-01-2024)“…[Display omitted] Using the crystal structure prediction combined with element substitution, several new layered Lix(ByC1-y)2 structures with 5-, 6-, and…”
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8
Cmc21-CdO: Emerging direct band gap semiconductor with ultrahigh mobility and enhanced visible-light optical absorptions
Published in Physica. B, Condensed matter (01-03-2023)“…In this paper, an unreported polymorph of cadmium oxide with a direct band gap (denoted as Cmc21-CdO) is proposed based on the adaptive genetic algorithm (AGA)…”
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9
Prediction of crystal structures and motifs in the Fe–Mg–O system at Earth’s core pressures
Published in New journal of physics (01-06-2021)“…Abstract Fe, Mg, and O are among the most abundant elements in terrestrial planets. While the behavior of the Fe–O, Mg–O, and Fe–Mg binary systems under…”
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10
Two-dimensional metallicity and ferromagnetic ordering in monoatomic-thick Ce layer on Si(111)
Published in Materials chemistry and physics (15-09-2017)“…Novel properties found in the atom-thick metal overlayed semiconductor systems motivate the studies on the two-dimensional metal films. In this work, the…”
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11
Prediction of ambient pressure superconductivity in cubic ternary hydrides with MH6 octahedra
Published in Materials today physics (01-03-2024)“…Exploring high-temperature superconducting (high-Tc) material at ambient pressure holds immense significance for physics, chemistry, and materials science. In…”
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12
Prediction of ambient pressure superconductivity in cubic ternary hydrides with MH$_6$ octahedra
Published 30-01-2024“…Mater. Today Phys. 42, 101374 (2024) Exploring high-temperature superconducting (high-$T_c$) material at ambient pressure holds immense significance for…”
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13
Prediction of superconductivity in metallic boron-carbon compounds from 0 to 100 GPa by high-throughput screening
Published 19-09-2023“…Phys. Chem. Chem. Phys. 25, 32594 (2023) Boron carbon compounds have been shown to have feasible superconductivity. In our earlier paper [Zheng et al., Phys…”
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14
Structural prediction of Fe-Mg-O compounds at Super-Earth's pressures
Published 07-07-2023“…Terrestrial exoplanets are of great interest for being simultaneously similar to and different from Earth. Their compositions are likely comparable to those of…”
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15
High-throughput screening of strong electron-phonon couplings in ternary metal diborides
Published 20-07-2022“…We perform a high-throughput screening on phonon-mediated superconductivity in ternary metal diboride structure with alkali, alkaline earth, and transition…”
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16
Structure and motifs of iron oxides from 1 to 3 TPa
Published 25-04-2022“…Phys. Rev. Materials 6, 043602 (2022) Iron oxides are fundamental components of planet-forming materials. Understanding the Fe-O system's behavior and…”
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17
Large magneto-optical effects and magnetic anisotropy energy in two-dimensional Cr$_2$Ge$_2$Te$_6
Published 15-08-2018“…Phys. Rev. B 98, 125416 (2018) By performing systematic $ab$ $initio$ density functional calculations, here we study two relativity-induced properties of…”
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18
Unconventional iron-magnesium compounds at terapascal pressures
Published 15-04-2021“…Phys. Rev. B 104, 144109, 2021 Being a lithophile element at ambient pressure, magnesium is long believed to be immiscible with iron. A recent study by Gao et…”
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19
Prediction of crystal structures and motifs in the Fe-Mg-O system at Earth's core pressures
Published 05-02-2021“…New J. Phys. 23, 063050 (2021) Fe, Mg, and O are among the most abundant elements in terrestrial planets. While the behavior of the Fe-O, Mg-O, and Fe-Mg…”
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