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Articles by Cui-E Hu
Single-layer group III-IV-VI semiconductors: potential photocatalysts for water splitting with high carrier mobilities
Single-layer group III-IV-VI semiconductors: potential photocatalysts for water splitting with high carrier mobilities As a novel member of the two-dimensional (2D) family, the GaGeTe monolayer has been successfully synthesized recently, attracting extensive research attention for its unique physical and chemical properties. However, due to its narrow bandgap, it cannot be applied in photocatalysis.
Intrinsic scattering channels and selection rules in four-phonon interactions
We propose selection rules for four-phonon (4ph) scattering that clarify the predominance of the redistribution process. The cutoff frequencies for specific scattering channels are identified, with their feasibility determined by the magnitude of the a-o gap. We obtain substantive evidence to support the fact that the enhancement of 4ph scattering is due to the flat phonon dispersion. An extremely strong intraband scattering in the ZA branch is identified beyond expectation.
Two-dimensional AlXY (X= S, Se and Y = Cl, Br, I) monolayers： promising photocatalysts for water splitting with high anisotropic carrier mobilities
Two-dimensional AlXY (X= S, Se and Y = Cl, Br, I) monolayers： promising photocatalysts for water splitting with high anisotropic carrier mobilities Lu Pan, Tian Zhang, Cui-E Hu, Xiang-Rong Chen and Huayun geng Abstract We here report a new group of two-dimensional (2D) AlXY (X= S, Se and Y = Cl, Br, I) monolayers by means of first-principles calculations. These AlXY monolayers are found to possess favorable dynamic, thermal and mechanical stabilities.
Penta-PdX2 (X = S, Se, Te) monolayer: a promising anisotropic thermoelectric material
Penta-PdX2 (X = S, Se, Te) monolayer: a promising anisotropic thermoelectric material Thermoelectric materials can be used to convert waste heat into electrical energy, which is considered to be a cleaner form of energy that reduces carbon dioxide and greenhouse gas emissions. In this work, we study the thermoelectric properties of penta-PdX2 (X = S, Se, Te) using first-principles calculations together with the Boltzmann transport theory.
Ab initio investigation of structure, stability, thermal behavior, bonding, and infrared spectra of ionized water cluster (H2O)6+
The low-lying isomers of cationic water cluster (H2O)6 + have been globally explored by using particle swarm optimization algorithm in conjunction with quantum chemical calculations. Compared with previous results, our searching method covers a wide range of structural isomers of (H2O)6 + and therefore turns out to be more effective.
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