Stable Low-Dimensional Boron Chalcogenides from Planar Structural Motifs

Abstract

There has been growing interest in searching for new low-dimensional (low-D) materials for nanoelectronics and energy applications. Most materials have their structural units extended in three dimensions and connected with chemical bonds. When the dimension is reduced, these bonds will be broken, decreasing the stability and making their experimental realization difficult. Here, we show that stable low-D materials can be made from naturally existing planar structural units. This is demonstrated by first-principles study of boron chalcogenides (B–X), which can have various low-D structures with attractive properties. For example, B2O3 can be the thinnest proton-exchange membrane for fuel cells. B–X are wide-gap semiconductors that can complement the narrow-gap 2D metal dichalcogenides for (opto)­electronics. Our work sheds light on the stability of low-D materials and suggests guidelines for rational design of new materials.

Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide

“…The high affinity of 2D B 2 O to metal-decorating atoms, with its high stability hints at the suitability of this material for H 2 storage applications. Similar to other 2D boron-based structures, such as borophene, 2D boron oxides can form different structural polymorphs. ,, Honeycomb B 2 O has lower formation energy compared to other 2D allotropes such as B 4 O, B 5 O, B 6 O, B 7 O, and B 8 O indicating its stability. , Other 2D polymorphs of boron oxide such as the recently reported B 2 O 3 may also be suitable for H 2 storage applications, however, the study of these materials is beyond the scope of this work.…”

“…metal-decorating atoms, with its high stability hints at the suitability of this material for H 2 storage applications. Similar to other 2D boron-based structures, such as borophene,36 2D boron oxides can form different structural polymorphs 33,34,37. Honeycomb B 2 O has lower formation energy compared to other 2D allotropes such as B 4 O, B 5 O, B 6 O, B 7 O, and B 8 O indicating its stability.…”

Two‐Dimensional Nanomaterials for the Development of Efficient Gas Sensors: Recent Advances, Challenges, and Future Perspectives

“…It permits high on/off current ratios in thin‐film transistors, which are based on 2D metal chalcogenides. [ 177 ] The n‐type and p‐type semiconductor properties can also be selectively amalgamated in modern devices and emerging technologies, dependent on the type of 2D chalcogenide material used in applications. [ 45 ] Practical applications are involved with techniques that allow the incorporation of the 2D metal chalcogenides in developing technologies.…”