6 papers
Hydrogen s-electrons as the origin of crystal magnetism beyond spin-orbit coupling
Baiqiang Liu, Zhen Gong, Rui Liu +3
Magnetism has long been attributed to localized d, f, and even p electrons with strong correlations, whereas s electrons exemplified by hydrogen are reactive and tend to have their…
Hydrogen-atom roaming reactions in water clusters: Unveiling an unusual dimension of water reactivity through first-principles calculations and machine learning
Rui Liu, Baiqiang Liu, Zhen Gong +3
Water mediates a broad range of chemical reactions, including proton transfer, bond rearrangement, and conventional radical processes, defining a continuously expanding repertoire…
Metallic solid-state hydrogen storage crystals achieved through chemical precompression under ambient conditions
Baiqiang Liu, Chenxi Wan, Rui Liu +3
Improving hydrogen storage density is essential for reducing the extreme conditions required in applications such as nuclear fusion. However, the recognition of metallic hydrogen a…
Superatomic hydrogen: achieving effective aggregation of hydrogen atoms at pressures lower than that of metallic hydrogen
Jia Fan, Chenxi Wan, Rui Liu +5
Metal hydrogen exhibiting electron delocalization properties has been recognized as an important prospect for achieving controlled nuclear fusion, but the extreme pressure conditio…
Double Layer-Interlocked Crystals of Nitrogen-Rich Compounds under Zero-Pressure Conditions
Zhen Gong, Baiqiang Liu, Xinrui Yang +3
Stabilizing nitrogen-rich compound crystals under conventional conditions is a key issue in the development and application of high-energy density materials (HEDMs). Herein, a two-…
Anomalous length dependent conductance of quasi-one-dimensional molecular wires assembled from metal superatoms
Famin Yu, Rui-Qin Zhang, Zhigang Wang
Molecular wires with high electrical conductance are desirable components for future molecular-scale circuitry. However, their conductance typically decays exponentially with incre…