Publications by authors named "Chengxuan Ke"

Article Synopsis
  • Transition state calculation is essential for understanding dynamic processes in solids, but results at 0 K often misrepresent behaviors at higher temperatures, with unknown error margins.
  • This study evaluates temperature effects like lattice expansion, lattice vibration, electron excitation, and band-edge shift on defect diffusion using first-principles calculations.
  • Findings reveal that lattice expansion and vibration significantly impact defect formation and hopping energies, while the electron excitation has minor effects, with varying attempt frequencies in different materials, leading to more accurate predictions of dynamical processes at high temperatures.
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Elemental 2D materials (E2DMs) have been attracting considerable attention owing to their chemical simplicity and excellent/exotic properties. However, the lack of robust chemical synthetic methods seriously limits their potential. Here, a surfactant-free liquid-phase synthesis of high-quality 2D tellurium is reported based on ultrasonication-assisted exfoliation of metastable 1T'-MoTe.

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On-chip electrocatalytic microdevices (OCEMs) are an emerging electrochemical platform specialized for investigating nanocatalysts at the microscopic level. The OCEM platform allows high-precision electrochemical measurements at the individual nanomaterial level and, more importantly, offers unique perspectives inaccessible with conventional electrochemical methods. This protocol describes the critical concepts, experimental standardization, operational principles and data analysis of OCEMs.

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Composition modulation and edge enrichment are established protocols to steer the electronic structures and catalytic activities of two-dimensional (2D) materials. It is believed that a heteroatom enhances the catalytic performance by activating the chemically inert basal plane of 2D crystals. However, the edge and basal plane have inherently different electronic states, and how the dopants affect the edge activity remains ambiguous.

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The emerging nonlayered 2D materials (NL2DMs) are sparking immense interest due to their fascinating physicochemical properties and enhanced performance in many applications. NL2DMs are particularly favored in catalytic applications owing to the extremely large surface area and low-coordinated surface atoms. However, the synthesis of NL2DMs is complex because their crystals are held together by strong isotropic covalent bonds.

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