71 citations · 258 across the 13 of their papers we have counts for
13 papers
Topological Transformations in Hyperuniform Pentagonal 2D Materials Induced by Stone-Wales Defects
Yu Zheng, Duyu Chen, Lei liu +2
We discover two distinct topological pathways through which the pentagonal Cairo tiling (P5), a structural model for single-layer pyrite materials, respectively transforms i…
High-throughput computational characterization of two-dimensional compositionally complex transition-metal chalcogenide alloys
Duo Wang, Lei Liu, Neha Basu +1
Two-dimensional (2D) binary transition-metal chalcogenides (TMCs) like molybdenum disulfide exhibits excellent properties as materials for light adsorption devices. Alloying binary…
Electrical and thermal transport properties of medium-entropy SiyGeySnx alloys
Duo Wang, Lei Liu, Mohan Chen +1
Electrical and thermal transport properties of disordered materials have long been of both theoretical interest and engineering importance. As a new class of materials with an intr…
Spin qubit based on the nitrogen-vacancy center analog in a diamond-like compound C3BN
Duo Wang, Lei Liu, Houlong L. Zhuang
The Nitrogen-vacancy (NV) center in diamond plays important roles in emerging quantum technologies. Currently available methods to fabricate the NV center often involve complex pro…
Stone-Wales Defects Preserve Hyperuniformity in Amorphous Two-Dimensional Materials
Duyu Chen, Yu Zheng, Lei Liu +4
Crystalline two-dimensional (2D) materials such as graphene possess unique physical properties absent in their bulk form, enabling many novel device applications. Yet, little is kn…
Semiconducting SiGeSn High-Entropy Alloy: A Density Functional Theory Study
D. Wang, L. Liu, W. Huang +1
High-entropy alloys (HEAs), which have been intensely studied due to their excellent mechanical properties, generally refer to alloys with multiple equimolar or nearly equimolar el…
Enhanced Electronic Transport in Disordered Hyperuniform Two-Dimensional Amorphous Silica
Yu Zheng, Lei Liu, Hanqing Nan +8
Disordered hyperuniformity (DHU) is a recently proposed new state of matter, which has been observed in a variety of classical and quantum many-body systems. DHU systems are charac…
Towards Obtaining 2D and 3D and 1D PtPN with Pentagonal Pattern
Duo Wang, Lei Liu, Houlong L. Zhuang
We apply an alloying strategy to single-layer PtN and PtP, aiming to obtain a single-layer Pt-P-N alloy with a relatively low formation energy with reference to its bulk st…
Dimension Engineering of Single-Layer PtN with the Cairo Tessellation
Lei Liu, Duo Wang, Sreeharsha Lakamsani +3
Single-layer PtN exhibits an intriguing structure consisting of a tessellation pattern called the Cairo tessellation of type 2 pentagons, which belong to one of the existing 15…
Single-Layer Ferromagnetic and Piezoelectric CoAsS with Pentagonal Structure
Lei Liu, Houlong L. Zhuang
Single-layer pentagonal materials are an emerging family of two-dimensional (2D) materials that could exhibit novel properties due to the building blocks being pentagons instead of…
Single-layer antiferromagnetic semiconductor CoS2 with the pentagonal structure
Lei Liu, Immanuella Kankam, Houlong L. Zhuang
Structure-property relationships have always been guiding principles in discovering new materials. Here we explore the relationships to discover novel two-dimensional (2D) material…
PtP: An Example of Exploring the Hidden Cairo Tessellation in the Pyrite Structure for Discovering Novel Two-Dimensional Materials
Lei Liu, Houlong L. Zhuang
The Cairo tessellation refers to a pattern of type 2 pentagons that can pave an infinite plane without creating a gap or overlap. We reveal the hidden, layered Cairo tessellations…
Encoding Quantum Mechanics into Pentagonal Geometries for Discovering Novel Two-Dimensional Materials
Lei Liu, Immanuella Kankam, Houlong L. Zhuang
Imagine that there is a gapless plane tessellated by irregular, convex pentagons with their side lengths at the sub-nanoscale, and tiny balls are placed at the vertices of each pen…