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Articles by Bole Chen
Theoretical Investigation on Bonding Properties and Low Oxidation States in SmBn Clusters
Conflict of Interest The authors declare no conflict of interest. Data Availability Statement The data that support the findings of this study are available from the corresponding author upon reasonable request. Supporting Information Filename Description cphc70209-sup-0001-SuppData-S1.pdf272.2 KB Supplementary Material References 1, , , , , , , Nature 2022, 603, 637. 2, , , , , , , , , , Proc. Natl. Acad. Sci. U. S. A. 2023, 120, e2215131120. 3, , , , J. Am. Chem. Soc. 2024, 146, 12530. 4, , , , , Nat. Commun.
Prediction of pressure-induced superconductivity in the ternary systems CaYH2n (n=3-6) at moderate pressures
Prediction of pressure-induced superconductivity in the ternary systems CaYH2n (n=3-6) at moderate pressures Hydrogen-rich ternary compounds are regarded as promising candidates for room-temperature superconductivity, primarily due to the synergistic effects of their crystal structures and electronic properties under high-pressure conditions. However, the vast chemical space of these compounds is vast, making its exploration particularly challenging.
Geometries and Stabilities of Chromium doped Nitrogen Clusters: Mass Spectrometry and Density Functional Theory Studies
Geometries and Stabilities of Chromium doped Nitrogen Clusters: Mass Spectrometry and Density Functional Theory Studies Metal-doped nitrogen clusters serve as effective models for elucidating the geometries and electronic properties of nitrogen-rich compounds at the molecular scale. Herein, we have conducted a systematic study of VIB-group metal chromium (Cr) doped nitrogen clusters through a combination of mass spectrometry techniques and density functional theory (DFT) calculations.
Ternary Na-P-H superconductor under high pressure
Abstract Most of the H-rich superconductors have so far been discovered to be clathrate structures. Several clathrate hydrides, including H3S, LaH10, and CaH6, were predicted to be excellent superconductors through structural searches and were later confirmed through experimental synthesis. Here, we conduct extensive crystal structure searches and first-principles calculations for ternary Na-P-H hydrides under high pressure.
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