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Writing scientific literature reviews is highly challenging, especially for broad topics like “heterogeneous catalysis” due to the explosion of knowledge. In this article, we introduce a machine-assisted approach aimed to facilitating this process. It integrates an automated summarization of several sources into the conventional method of writing a literature review. Our approach represents an initial trial to compile recent trends in heterogeneous catalysis. We chose the topic of heterogeneous catalysis due to its significance in various industrial processes and its multidisciplinary nature, which makes reviewing it challenging. The review highlights the pursuit of more advanced and complex catalysts to enhance catalytic performance. These advances significantly influence chemical reaction engineering, which combines reaction chemistry and chemical engineering. The trend of developing complex catalysts faces feasibility challenges, underscoring the importance of balancing practicality and potential benefits. In this interplay, the role of atomistic understanding becomes more important as it provides insights into the fundamental mechanisms governing catalyst behavior. Therefore, this review also covers advances in computational studies, particularly density functional theory calculations and the incorporation of new techniques. The wide scope of knowledge presented in this initial trial will facilitate further development in the field of chemical reaction engineering.

We recently synthesized one-dimensional (1D) van der Waals heterostructures in which different atomic layers (e.g., boron nitride or molybdenum disulfide) seamlessly wrap around a single-walled carbon nanotube (SWCNT) and form a coaxial, crystalized heteronanotube. The growth process of 1D heterostructure is unconventional--different crystals need to nucleate on a highly curved surface and extend nanotubes shell by shell--so understanding the formation mechanism is of fundamental research interest. In this work, we perform a follow-up and comprehensive study on the structural details and formation mechanism of chemical vapor deposition (CVD)-synthesized 1D heterostructures. Edge structures, nucleation sites, and crystal epitaxial relationships are clearly revealed using transmission electron microscopy (TEM). This is achieved by the direct synthesis of heteronanotubes on a CVD-compatible Si/SiO2 TEM grid, which enabled a transfer-free and nondestructive access to many intrinsic structural details. In particular, we have distinguished different-shaped boron nitride nanotube (BNNT) edges, which are confirmed by electron diffraction at the same location to be strictly associated with its own chiral angle and polarity. We also demonstrate the importance of surface cleanness and isolation for the formation of perfect 1D heterostructures. Furthermore, we elucidate the handedness correlation between the SWCNT template and BNNT crystals. This work not only provides an in-depth understanding of this 1D heterostructure material group but also, in a more general perspective, serves as an interesting investigation on crystal growth on highly curved (radius of a couple of nanometers) atomic substrates. [ABSTRACT FROM AUTHOR]

Using the density functional theory, energetics and electronic structures of single walled carbon nanotube (CNT) encapsulated in boron nitride nanotube (BNNT) are investigated. Cohesive energy of CNT inside BNNT depends on the spacing between them and on their mutual arrangement. Band gap of CNT encapsulated in BNNT is modulated by about tens of meV, when they have AB stacking arrangement where B atoms are located as close as to C atoms, indicating that BNNT effectively affects the tensile strain onto CNT. Carrier accumulation into CNT occurs under external electric field, where BNNT acts as the gate insulator surrounding CNT. [ABSTRACT FROM AUTHOR]