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The phase behavior of hard superballs is examined using molecular dynamics within a deformable periodic simulation box. A superball's interior is defined by the inequality $|x|^{2q} + |y|^{2q} + |z|^{2q} \leq 1$, which provides a versatile…

Statistical Mechanics · Physics 2015-05-18 Robert D. Batten , Frank H. Stillinger , Salvatore Torquato

The paper is an excursus on potential acid-base adducts formed by an unsaturated main group or transition metal species and P atoms of phosphorene (P n ), which derives from the black phosphorus exfoliation. Various possibilities of…

Chemical Physics · Physics 2018-11-13 Andrea Ienco , Gabriele Manca , Maurizio Peruzzini , Carlo Mealli

Elemental phosphorus exhibits fascinating structural varieties and versatile properties. The unique nature of phosphorus bonds can lead to the formation of extremely complex structures, and detailed structural information on some phosphorus…

Twisted stacked few layer black phosphorus heterostructures were successfully fabricated in this work. Abnormal blue shifts in their Ag1 and Ag2 Raman peaks and unique optical reflections were observed in these samples. The phonon behavior…

Materials Science · Physics 2018-05-04 Tao Fang , Teren Liu , Zenan Jiang , Rui Yang , Peyman Servati , Guangrui , Xia

Layered multi-ferroic materials exhibit a variety of functional properties that can be tuned by varying the temperature and pressure. As-synthesized CuInP$_2$S$_6$ is a layered material that displays ferrielectric behavior at room…

Materials Science · Physics 2022-01-05 Rahul Rao , Benjamin S. Conner , Ryan Selhorst , Michael A. Susner

Phosphorene is a new family member of two-dimensional materials. We observed strong and highly layer-dependent photoluminescence in few-layer phosphorene (2 to 5 layers). The results confirmed the theoretical prediction that few-layer…

Mesoscale and Nanoscale Physics · Physics 2014-09-05 Shuang Zhang , Jiong Yang , Renjing Xu , Fan Wang , Weifeng Li , Muhammad Ghufran , Yong-wei Zhang , Zongfu Yu , Gang Zhang , Qinghua Qin , Yuerui Lu

This paper examines the micro-parameters of superconductors. It studies the modulations from weak van der Waals interaction to strong covalence bonding of superconductors. In particular, we studied layered black phosphorus (BP) as a…

The well known phenomenon of phase separation in synthetic polymers and proteins has become a major topic in biophysics because it has been invoked as a mechanism of compartment formation in cells, without the need for membranes. Most of…

Biomolecules · Quantitative Biology 2023-06-06 D. Thirumalai , Abhinaw Kumar , Debayan Chakraborty , John E. Straub , Mauro L. Mugnai

The growing trend towards engineering interfacial complexion (or phase) transitions has been seen in the grain boundary and solid surface systems.Meanwhile, little attention has been paid to the chemically heterogeneous solid/liquid…

Materials Science · Physics 2023-05-10 Jiaojiao Liu , Hongtao Liang , Jinfu Li , Brian B. Laird , and Yang Y

Phosphorene, a new elemental two dimensional (2D) material recently isolated by mechanical exfoliation, holds the feature of a direct band gap of around 2.0 eV, overcoming graphene's weaknesses (zero band gap) to realize the potential…

Materials Science · Physics 2016-12-07 Liujiang Zhou , Jin Zhang , Zhiwen Zhuo , Liangzhi Kou , Wei Ma , Bin Shao , Aijun Du , Sheng Meng , Thomas Frauenheim

An atomic-scale study utilizing scanning tunneling microscopy (STM) in ultrahigh vacuum (UHV) is performed on large single crystalline graphene grains synthesized on Cu foil by a chemical vapor deposition (CVD) method. After thermal…

Mesoscale and Nanoscale Physics · Physics 2014-09-12 Jifa Tian , Helin Cao , Wei Wu , Qingkai Yu , Nathan P. Guisinger , Yong P. Chen

Monolayer black and blue phosphorenes possess electronic and optical properties that result in unique features when the two materials are stacked. We devise a low-strain van-der-Waals double layer and investigate its properties with ab…

Materials Science · Physics 2021-01-29 Michele Re Fiorentin , Giancarlo Cicero , Maurizia Palummo

Epitaxial graphene grown on metallic substrates presents, in several cases, a long-range periodic structure due to a lattice mismatch between the graphene and the substrate. For instance, graphene grown on Ir(111), displays a corrugated…

Black phosphorus is a monoatomic semiconducting layered material that degrades exothermically in the presence of light and ambient contaminants. Its degradation dynamics remain largely unknown. Even before degradation, local-probe studies…

Vertical integration of two-dimensional materials has recently emerged as an exciting method for the design of novel electronic and optoelectronic devices. Using density functional theory, we investigatethe structural and electronic…

Materials Science · Physics 2015-06-25 Yongqing Cai , Gang Zhang , Yong-Wei Zhang

As the only non-carbon elemental layered allotrope, few-layer black phosphorus or phosphorene has emerged as a novel two-dimensional (2D) semiconductor with both high bulk mobility and a band gap. Here we report fabrication and transport…

Surface oxidation processes are crucial for the functionality of Cu-based catalytic systems used for methanol synthesis, partial oxidation of methanol or the water-gas shift reaction. We assess the stability and population of the…

Materials Science · Physics 2016-01-22 Norina. A. Richter , Chang-Eun Kim , Catherine Stampfl , Aloysius Soon

We present a comprehensive study of graphene grown by chemical vapor deposition on copper single crystals with exposed (100), (110) and (111) faces. Direct examination of the as-grown graphene by Raman spectroscopy using a range of visible…

Mesoscale and Nanoscale Physics · Physics 2014-02-03 Otakar Frank , Jana Vejpravova , Vaclav Holy , Ladislav Kavan , Martin Kalbac

Using density functional theory with the generalized gradient approximation and ultra-soft pseudo-potentials, we have calculated structural relaxations of the Cu(532) surface which contains steps and kinks. We find the relaxation pattern to…

Materials Science · Physics 2009-11-11 Faisal Mehmood , Abdelkader Kara , Talat S. Rahman

The central question in the field of 2D materials is how a material behaves when it is patterned at nanometer scale with different edge geometries. Due to the anisotropy inherent in the puckered structure, black phosphorene nanostructures…

Mesoscale and Nanoscale Physics · Physics 2019-12-13 Yi Ren , Pu Liu , Benliang Zhou , Xiaoying Zhou , Guanghui Zhou