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Computational Research on Electronic Structure and Transport in Condensed Materials
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Selective CVD growth of boron nitride nanotubes via oxidation control of supported catalysts

Author(s)
Kim, ChunghunKang, YosubLee, Dong HwanYang, Seung JaeJeong, EunjaeLee, GeunsikKim, Myung Jong
Issued Date
2025-11
DOI
10.1039/d5ta07119d
URI
https://scholarworks.unist.ac.kr/handle/201301/90573
Fulltext
https://pubs.rsc.org/en/content/articlelanding/2025/ta/d5ta07119d
Citation
JOURNAL OF MATERIALS CHEMISTRY A, v.13, no.44, pp.38411 - 38420
Abstract
Carbon nanotubes (CNTs) have been successfully mass-produced via chemical vapor deposition (CVD) using supported catalysts, but boron nitride nanotube (BNNT) synthesis still relies on high-temperature processes, and research on supported catalyst-based CVD remains limited. In this study, we developed a tailored Ni-Pd (MgO) alloy-supported catalyst for BNNT synthesis, leveraging the high catalytic activities of Ni and Pd toward nitrogen and boron, respectively, as well as the low eutectic point of the alloy. By controlling the oxidation state of the MgO support, we demonstrated the selective synthesis of highly crystalline BNNTs and MgO-BN core/shell nanowires at a relatively low temperature of 1100 degrees C. Notably, MgO-BN core/shell nanowires, exceeding 50 mu m in length, provide a practical alternative for large-scale BNNT production, as they can be converted into BNNTs via simple acid treatment and annealing. Transmission electron microscopy (TEM) and density functional theory (DFT) analyses revealed that BNNT tip growth is driven by the reduced eutectic point of the Ni-Pd catalyst, its quasi-liquid deformation, and catalyst lift-off induced by strong interactions with h-BN. This catalyst design and growth mechanism analysis present a crucial strategy for the low-temperature mass production of BNNTs and suggest the potential for further improving synthesis efficiency through the optimization of catalyst composition and reaction conditions.
Publisher
ROYAL SOC CHEMISTRY
ISSN
2050-7488
Keyword
TOTAL-ENERGY CALCULATIONSCARBON NANOTUBESMECHANICAL-PROPERTIESTRANSITION-METALSNANOPARTICLESCOATINGS

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