10 papers
Preferred Synthesis of Armchair Transition Metal Dichalcogenide Nanotubes
Abid, Luneng Zhao, Ju Huang +25
In this work, we present the synthesis of transition-metal dichalcogenide (TMDC) nanotubes with a preferred chiral angle. SnS2, MoS2, and WS2 are formed with high yield and structu…
Structures of iron and cobalt bimetallic clusters for optimized chemical vapor deposition growth of single-walled carbon nanotubes
Qingmei Hu, Daniel Hedman, Ya Feng +17
We investigate iron-cobalt (Fe-Co) alloys as a representative high-performance catalyst system for SWCNT growth in a systematic manner by combining chemical vapor deposition (CVD)…
Predicting the Thermal Conductivity Collapse in SWCNT Bundles: The Interplay of Symmetry Breaking and Scattering Revealed by Machine-Learning-Driven Quantum Transport
Feng Tao, Xiaoliang Zhang, Dawei Tang +2
We combine machine learning (ML)-based neuroevolution potentials (NEP) with anharmonic lattice dynamics and the Boltzmann transport equation (ALD-BTE) to achieve a quantitative and…
Machine-Learned Bond-Order Potential for Exploring the Configuration Space of Carbon
Ikuma Kohata, Kaoru Hisama, Keigo Otsuka +1
Construction of transferable machine-learning interatomic potentials with a minimal number of parameters is important for their general applicability. Here, we present a machine-le…
Analysis of Fe and Co binary catalysts in chemical vapor deposition growth of single-walled carbon nanotubes
Qingmei Hu, Ya Feng, Wanyu Dai +17
Metal catalysts play a pivotal role in the growth of single-walled carbon nanotubes (SWCNTs), with binary metallic catalysts emerging as an efficient SWCNT synthesis strategy. Amon…
Metallic NbS2 one-dimensional van der Waals heterostructures
Wanyu Dai, Yongjia Zheng, Akihito Kumamoto +12
This study presents the experimental realization of metallic NbS2-based one-dimensional van der Waals heterostructures applying a modified NaCl-assisted chemical vapor deposition a…