As an important two-dimensional material which shows exceptional mechanical and chemical stability, superior electronic properties, along with broad applications, the hexagonal-BN (h-BN) has drawn great attention recently. Here we report a systematic study on the structural stability, electronic and magnetic properties of various h-BN edges, including both bare and hydrogen-terminated ones. It is found that along the armchair (AC) direction, the pristine edge is the most stable one because of the formation of a triple B N bond, while, along the zigzag (ZZ) directions, the reconstructed ones, ZZB + N and ZZN57 are more stable. The pristine edges are more stable in bare BN in most cases if saturated with hydrogen. By applying the theory of W...
Hexagonal boron nitride nanosheets (h-BNNS), the isoelectronic analog to graphene, have received int...
This paper presents a systematic study of two- and one-dimensional honeycomb structures of boron nit...
Abstract The atomic, electronic, and magnetic properties of vacancy structures with triangular shape...
As an important two-dimensional material which shows exceptional mechanical and chemical stability, ...
We investigate the comparative stability of sp(2) bonded planar hexagonal boron nitride (h-BN) nanor...
We investigate the comparative stability of sp(2) bonded planar hexagonal boron nitride (h-BN) nanor...
Edge structure and stability are crucial in determining both the morphology and the growth behaviour...
Edge structure and stability are crucial in determining both the morphology and the growth behaviour...
Energetics and electronic properties of three-layered hBN nanoribbons, with reconstructed edges, wer...
Single-layer h-BN is known to have edges with unique magnetism; however, in the commonly fabricated ...
Theoretical research on the two-dimensional crystal structure of hexagonal boron nitride (h-BN) has ...
The ionic component of the strong bond in hexagonal boron nitride (hBN) has been grossly disregarded...
The first-principles calculations have been used to determine structures, stabilities, and electroni...
We studied the energetics and electronic structures of hexagonal boron nitrogen (h-BN) nanoflakes wi...
First-principles calculations based on density-functional theory reveal some unusual properties of B...
Hexagonal boron nitride nanosheets (h-BNNS), the isoelectronic analog to graphene, have received int...
This paper presents a systematic study of two- and one-dimensional honeycomb structures of boron nit...
Abstract The atomic, electronic, and magnetic properties of vacancy structures with triangular shape...
As an important two-dimensional material which shows exceptional mechanical and chemical stability, ...
We investigate the comparative stability of sp(2) bonded planar hexagonal boron nitride (h-BN) nanor...
We investigate the comparative stability of sp(2) bonded planar hexagonal boron nitride (h-BN) nanor...
Edge structure and stability are crucial in determining both the morphology and the growth behaviour...
Edge structure and stability are crucial in determining both the morphology and the growth behaviour...
Energetics and electronic properties of three-layered hBN nanoribbons, with reconstructed edges, wer...
Single-layer h-BN is known to have edges with unique magnetism; however, in the commonly fabricated ...
Theoretical research on the two-dimensional crystal structure of hexagonal boron nitride (h-BN) has ...
The ionic component of the strong bond in hexagonal boron nitride (hBN) has been grossly disregarded...
The first-principles calculations have been used to determine structures, stabilities, and electroni...
We studied the energetics and electronic structures of hexagonal boron nitrogen (h-BN) nanoflakes wi...
First-principles calculations based on density-functional theory reveal some unusual properties of B...
Hexagonal boron nitride nanosheets (h-BNNS), the isoelectronic analog to graphene, have received int...
This paper presents a systematic study of two- and one-dimensional honeycomb structures of boron nit...
Abstract The atomic, electronic, and magnetic properties of vacancy structures with triangular shape...