Yufei Ge
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View article: Curved graphite precursors enable cubic-hexagonal diamond heterostructures with unprecedented toughness-hardness synergy
Curved graphite precursors enable cubic-hexagonal diamond heterostructures with unprecedented toughness-hardness synergy Open
The intrinsic trade-off between hardness and toughness presents a long-standing challenge for diamond-based materials, limiting their use in extreme environments. Here, we report a bioinspired strategy to overcome this limitation by engine…
Quantum Computer Simulation of Molecules in Optical Cavity Open
Various phenomena have been observed in molecule-cavity coupled systems, which are believed to hold potential for applications in transistors, lasers, and computational units, among others. However, theoretical methods for simulating molec…
Realizing Sunlight‐Induced Efficiently Dynamic Infrared Emissivity Modulation Based on Aluminum‐Doped zinc Oxide Nanocrystals Open
Dynamic manipulation of an object's infrared radiation characteristics is a burgeoning technology with significant implications for energy and information fields. However, exploring efficient stimulus–spectral response mechanism and realiz…
Efficient and Robust Parameter Optimization of the Unitary Coupled-Cluster Ansatz Open
The variational quantum eigensolver (VQE) framework has been instrumental in advancing near-term quantum algorithms. However, parameter optimization remains a significant bottleneck for VQE, requiring a large number of measurements for suc…
Roles of non-local electron-phonon coupling on the electrical conductivity and Seebeck coefficient: a TD-DMRG study Open
Organic molecular materials are potential high-performance thermoelectric materials. Theoretical understanding of thermoelectric conversion in organic materials is essential for rational molecular design for efficient energy conversion mat…
Enhancement of Thermoelectric Performance in Robust ZnO‐Based Composite Ceramics Driven by A Stepwise Optimization Strategy Open
ZnO is a promising high‐temperature thermoelectric (TE) material due to its superior stability and earth abundance. However, the coupling relation between Seebeck coefficient and electrical conductivity on carrier concentration limits the …
View article: Electronic Structure and Hardness of Mn3N2 Synthesized under High Temperature and High Pressure
Electronic Structure and Hardness of Mn3N2 Synthesized under High Temperature and High Pressure Open
The hardness of materials is a complicated physical quantity, and the hardness models that are widely used do not function well for transition metal light element (TMLE) compounds. The overestimation of actual hardness is a common phenomen…
View article: The Synthesis and Characterisation of the High-Hardness Magnetic Material Mn2N0.86
The Synthesis and Characterisation of the High-Hardness Magnetic Material Mn2N0.86 Open
High-quality P6322 Mn2N0.86 samples were synthesised using a high-pressure metathesis reaction, and the properties of the material were investigated. The measurements revealed that the Vickers hardness was 7.47 GPa, which is less than that…
Computational Method for Evaluating the Thermoelectric Power Factor for Organic Materials Modeled by Holstein Model: A Time-Dependent Density Matrix Renormalization Group Formalism Open
Organic/polymeric materials are of emerging importance for thermoelectric conversion. The soft nature of these materials implies strong electron-phonon coupling, often leading to carrier localization. This poses great challenges for the co…
CSD 2103965: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…
Revealing the Unusual Boron-Pinned Layered Substructure in Superconducting Hard Molybdenum Semiboride Open
Improving the poor electrical conductivity of hard materials is important, as it will benefit their application. High-hardness metallic Mo2B was synthesized by high-pressure and high-temperature methods. Temperature-dependent resistivity m…
Understanding the Temperature Dependence of the Seebeck Coefficient from First-Principles Band Structure Calculations for Organic Thermoelectric Materials Open
Open AccessCCS ChemistryRESEARCH ARTICLE1 Oct 2021Understanding the Temperature Dependence of the Seebeck Coefficient from First-Principles Band Structure Calculations for Organic Thermoelectric Materials Ran Liu, Yufei Ge, Dong Wang and Z…
View article: Correction: Synthesis and characterization of a strong ferromagnetic and high hardness intermetallic compound Fe<sub>2</sub>B
Correction: Synthesis and characterization of a strong ferromagnetic and high hardness intermetallic compound Fe<sub>2</sub>B Open
Correction for ‘Synthesis and characterization of a strong ferromagnetic and high hardness intermetallic compound Fe 2 B’ by Xingbin Zhao et al. , Phys. Chem. Chem. Phys. , 2020, 22 , 27425–27432, DOI: 10.1039/D0CP03380D.