4 papers
Unique Hierarchical Rotational Dynamics Induces Ultralow Lattice Thermal Conductivity in Cyanide-bridged Framework Materials
Zhunyun Tang, Xiaoxia Wang, Jin Li +4
The pursuit of materials combining light constituent elements with ultralow lattice thermal conductivity () is crucial to advancing technologies like thermoelectri…
First-principles predictions of the diversity in atomic structures and electronic properties of the reconstructed Si(111)-7x7 surface
Yuke Song, ShiFang Li, PeiZe Lin +4
The 7x7 reconstruction of Si(111) surface is widely understood by the dimer-adatom-stacking-fault model (DAS), but the predicted metallicity of DAS contradicts experimental signs o…
Natural and Intrinsic Vacancies in two-dimensional g-CN for Trapping Isolated B and C Atoms as Color Centers
Manqi You, Chaoyu He, Gencai Guo +1
Color centers are vital for quantum information processing, but traditional ones often suffer from instability, difficulty in realization, and precise control of locations. In cont…
Isolated zero-energy flat-bands and intrinsic magnetism in carbon monolayers
Chaoyu He, Shifang Li, Yuwen Zhang +3
Flat-band in twisted graphene bilayer has garnered widespread attention, and whether flat-bands can be realized in carbon monolayer is an interesting topic worth exploring in conde…