Realization of large-area ultraflat chiral blue phosphorene

YH Song, MU Muzaffar, Q Wang, Y Wang, Y Jia… - Nature …, 2024 - nature.com
Blue phosphorene (BlueP), a theoretically proposed phosphorous allotrope with buckled
honeycomb lattice, has attracted considerable interest due to its intriguing properties …

Automated generation and analysis of molecular images using generative artificial intelligence models

Z Zhu, J Lu, S Yuan, Y He, F Zheng… - The Journal of …, 2024 - ACS Publications
The development of scanning probe microscopy (SPM) has enabled unprecedented
scientific discoveries through high-resolution imaging. Simulations and theoretical analysis …

Low-index mesoscopic surface reconstructions of Au surfaces using Bayesian force fields

CJ Owen, Y Xie, A Johansson, L Sun… - Nature …, 2024 - nature.com
Metal surfaces have long been known to reconstruct, significantly influencing their structural
and catalytic properties. Many key mechanistic aspects of these subtle transformations …

Effects of glutaric acid, tricarballylic acid and citric acid on the morphology of α-hemihydrate gypsum: Experimental and DFT simulation studies

C Zhang, R Zhao, H Liu, X Guan, J Du, J Zhu - Journal of Industrial and …, 2024 - Elsevier
The controlled synthesis of α-hemihydrate (α-HH) gypsum using flue gas desulfurized
gypsum is essential for the utilization of calcium and sulfur resources. An aspect ratio (AR) …

Non-equilibrium nature of fracture determines the crack paths

P Shi, S Feng, Z Xu - Extreme Mechanics Letters, 2024 - Elsevier
Local kinetic processes during crack growth are non-equilibrium and discrete and thus
cannot be resolved in the framework of continuum thermodynamics. Atomistic modeling …

Dynamics of growing carbon nanotube interfaces probed by machine learning-enabled molecular simulations

D Hedman, B McLean, C Bichara, S Maruyama… - Nature …, 2024 - nature.com
Carbon nanotubes (CNTs), hollow cylinders of carbon, hold great promise for advanced
technologies, provided their structure remains uniform throughout their length. Their growth …

Development of machine learning force field for thermal conductivity analysis in MoAlB: Insights into anisotropic heat transfer mechanisms

H Zhang, G Ren, P Jia, X Zhao, N Ni - Ceramics International, 2024 - Elsevier
The MAB phases have garnered significant attention as a new generation high-temperature
structural materials due to their outstanding high-temperature mechanical properties …

Molecular-Scale Visualization of Steric Effects of Ligand Binding to Reconstructed Au (111) Surfaces

L Bi, S Jamnuch, A Chen, A Do, KP Balto… - Journal of the …, 2024 - ACS Publications
Direct imaging of single molecules at nanostructured interfaces is a grand challenge with
potential to enable new, precise material architectures and technologies. Of particular …

Synthesis of self-assembled single atomic layer gold crystals-goldene

SK Sharma, R Pasricha, J Weston… - … applied materials & …, 2022 - ACS Publications
We report, for the first time, a technique to synthesize free-standing, one-atom thick 2D gold
crystals (namely, goldene) and self-assembled 2D periodic arrays of goldene. High …

Out‐of‐Plane Single‐Copper‐Site Catalysts for Room‐Temperature Benzene Oxidation

W Che, P Li, GF Han, HJ Noh, JM Seo… - Angewandte …, 2024 - Wiley Online Library
Crafting single‐atom catalysts (SACs) that possess “just right” modulated electronic and
geometric structures, granting accessible active sites for direct room‐temperature benzene …