Water and air pollution is a critical issue across the whole world. Two-dimensional transition metal carbide/nitride (MXene) materials, due to the characteristics of large specific surface area, hydrophilic nature and abundant highly active surficial sites, are able to adsorb a variety of environmental pollutants, and thus can be used for environmental remediation. First-principles method is a powerful tool to investigate and predict the properties of low-dimensional materials, which can save a large amount of experimental costs and accelerate the research progress. In this review, we summarize the recent research progresses of the MXene materials in the adsorptive remediation of environmental pollutants in polluted water and air using first-principles simulations, and try to predict the research direction of MXenes in the adsorptive environmental applications from first-principles view.

Carbon nanotubes (CNTs)-reinforced copper-based composites (CNT/Cu) have been extensively investigated due to their exceptional theoretical electrical, thermal, and mechanical properties. However, the actual performance of these composites has consistently fallen short of theoretical expectations. This discrepancy primarily arises from the inability to achieve direct chemical bonding between copper and carbon nanotubes or to alloy them effectively. Consequently, this leads to interference in electron and phonon transmission at the interface between the two materials, adversely affecting their electrical and thermal conductivity as well as other properties. In recent years, research has increasingly focused on optimizing and regulating the interfacial interactions between carbon nanotubes and the copper matrix to enhance overall performance while also exploring potential applications. This article reviews recent advancements from an interface regulation perspective, summarizing typical interfacial characteristics such as physical interfaces, chemical bonding, and metallurgical bonding along with their respective preparation methods and effects on performance enhancement. Furthermore, a novel microstructural design of CNT/Cu is put forward, where amorphous CNTs (aCNTs) were utilized as the reinforcing phase to form a nanoscale networked composite interface. This not only enables Cu to adhere to the aCNTs’ sidewall but also fills the sidewall within them, with the aim of significantly strengthening the interfacial bonding strength of CNT/Cu and achieving comprehensive improvement of the composite material properties.

Carbon nanotubes (CNTs) have rapidly received increasing attention and great interest as potential materials for energy storage and catalyst fields, which is due to their unique physicochemical and electrical properties. With continuous improvements in fabrication routes, CNTs have been modified with various types of materials, opening up new perspectives for research and state-of-the-art technologies. Amorphous CNTs (aCNTs) are carbon nanostructures that are distinctively different from their well-ordered counterparts, such as single-walled and multi-walled carbon nanotubes (SWCNTs and MWCNTs, respectively), while the atoms in aCNTs are grouped in a disordered, crystalline/non-crystalline manner. Owing to their unique structure and properties, aCNTs are attractive for energy storage, catalysis, and aerospace applications. In this review, we provide an overview of the synthetic routes of aCNTs, which include chemical vapor deposition, catalytic pyrolysis, and arc discharge. Detailed morphologies of aCNTs and the systematic elucidation of tunable properties are also summarized. Finally, we discuss the future perspectives as well as associated challenges of aCNTs. With this review, we aim to encourage further research for the widespread use of aCNTs in industry.