Hang Xiao

Publications

• Modeling and simulation of curled dry leaves
• A mechanical model of overnight hair curling
• Capture CO2from Ambient Air Using Nanoconfined Ion Hydration
• Understanding flocculation mechanism of graphene oxide for organic dyes from water: Experimental and molecular dynamics simulation
• Thermal conductivity of armchair black phosphorus nanotubes: a molecular dynamics study
• Effects of intrinsic strain on the structural stability and mechanical properties of phosphorene nanotubes
• Prediction of a Two-dimensional Sulfur Nitride (S3N2) Solid for Nanoscale Optoelectronic Applications
• Self-assembled nanocapsules in water: a molecular mechanistic study
• The catalytic effect of H2O on the hydrolysis of CO32− in hydrated clusters and its implication in the humidity driven CO2 air capture
• Closed-edged bilayer phosphorene nanoribbons producing from collapsing armchair phosphorene nanotubes
• Prediction of viscosity of kerosene-based nanographene fluids by molecular dynamics simulation analysis
• Strain and defect engineering on phase transition of monolayer black phosphorene
• Oxidation-induced negative Poisson’s ratio of phosphorene
• Predicting a two-dimensional P2S3 monolayer: A global minimum structure
• Unconventional localization prior to wrinkles and controllable surface patterns of film/substrate bilayers through patterned cavities
• Three-dimensional auxetic properties in group V–VI binary monolayer crystals X3M2 (X = S, Se; M = N, P, As)
• Moisture Swing Ion-Exchange Resin-PO4 Sorbent for Reversible CO2 Capture from Ambient Air
• On the surface hydrophilization of a blended polysulfone membrane: atomic force microscopy measurement and molecular dynamics simulation
• Reversible SO2 Removal from Simulated Flue Gas by Ion Exchange Membranes Using the Humidity-Swing
• Effect of Local Terrace on Structure and Mechanics of Graphene Grain Boundary
• Comment on “Accelerated Discovery of New 8-Electron Half-Heusler Compounds as Promising Energy and Topological Quantum Materials”
• Highly efficient reduction of O2-containing CO2 via chemical looping based on perovskite nanocomposites
• CO2 Absorption over Ion Exchange Resins: The Effect of Amine Functional Groups and Microporous Structures
• Strong bases behave as weak bases in nanoscale chemical environments: implication in humidity-swing CO2 air capture
• Confronting the Carbon-Footprint Challenge of Blockchain
• An invertible, invariant crystal representation for inverse design of solid-state materials using generative deep learning
• Low‐Temperature and Highly Efficient Reduction of O2‐Containing CO2 Mixtures via Pt‐Ni/CeO2 Oxygen Carriers
• Inverse design of high-performance piezoelectric semiconductors via advanced crystal representation and large language models
• SLICES-PLUS: A crystal representation leveraging spatial symmetry
• Improving SLICES crystal representation through CHGNet integration and parameter tuning