TY - JOUR
T1 - Fused borophenes
T2 - A new family of superhard light-weight materials
AU - Saha, Santanu
AU - Von Der Linden, Wolfgang
AU - Boeri, Lilia
N1 - Funding Information:
Acknowledgments- S. Saha and W. von der Linden acknowledge computational resources from the dCluster of the Graz University of Technology and the VSC3 of the Vienna University of Technology and support through the FWF, Austrian Science Fund, Project P 30269- N36 (Superhydra). L. Boeri acknowledges support from Fondo Ateneo Sapienza 2017-18 and computational Resources from CINECA, Project Hi-TSEPH.
Publisher Copyright:
© 2021 American Physical Society
PY - 2021/8
Y1 - 2021/8
N2 - The search of new superhard materials has received a strong impulse by industrial demands for low-cost alternatives to diamond and c-BN, such as metal borides. In this Letter we introduce a new family of superhard materials, "fused borophenes"(FBs), containing 2D boron layers that are interlinked to form a 3D network. These materials, identified through a high-throughput scan of BxC1-x structures, exhibit Vicker's hardness comparable to those of the best commercial metal borides. Due to their low formation enthalpies, FBs could be synthesized by high-temperature methods, starting from appropriate precursors, or through quenching of high-pressure phases.
AB - The search of new superhard materials has received a strong impulse by industrial demands for low-cost alternatives to diamond and c-BN, such as metal borides. In this Letter we introduce a new family of superhard materials, "fused borophenes"(FBs), containing 2D boron layers that are interlinked to form a 3D network. These materials, identified through a high-throughput scan of BxC1-x structures, exhibit Vicker's hardness comparable to those of the best commercial metal borides. Due to their low formation enthalpies, FBs could be synthesized by high-temperature methods, starting from appropriate precursors, or through quenching of high-pressure phases.
UR - http://www.scopus.com/inward/record.url?scp=85113593495&partnerID=8YFLogxK
U2 - 10.1103/PhysRevMaterials.5.L080601
DO - 10.1103/PhysRevMaterials.5.L080601
M3 - Article
AN - SCOPUS:85113593495
SN - 2475-9953
VL - 5
JO - Physical Review Materials
JF - Physical Review Materials
IS - 8
M1 - L080601
ER -