Mechanism of Corrugated Graphene Moiré Superstructures on Transition-Metal Surfaces

A graphene layer on a transition-metal (TM) surface can be either corrugated or flat, depending on the type of the substrate and its rotation angle with respect to the substrate. It was broadly observed that the degree of corrugation generally decreases with the increase of rotation angle or the decrease of Moiré pattern size. In contrast to a flat graphene on a TM surface, a corrugated graphene layer has an increased binding energy to the substrate and a concomitant elastic energy. Here, we developed a theoretical model about the competition between the binding energy increase and the elastic energy of corrugated graphene layers on TM surfaces in which all the parameters can be calculated by density functional theory (DFT) calculations. The agreement between the theoretical model and the experimental observations of graphene on various TM surfaces, for example, Ru(0001), Rh(111), Pt(111), and Ir(111), substantiated the applicability of this model for graphene on other TM surfaces. Moreover, the morphology of a graphene layer on an arbitrary TM surface can be theoretically predicted through simple DFT calculations based on the model. Our work thus provides a theoretical framework for the intelligent design of graphene/TM superstructures with the desired structure

Mechanism of 2D Materials’ Seamless Coalescence on a Liquid Substrate

The seamless coalescence of parallelly aligned 2D materials is the primary route toward the synthesis of wafer-scale single crystals (WSSCs) of 2D materials. The epitaxial growth of various 2D materials on a single-crystal substrate, which is an essential condition of the seamless coalescence approach, has been extensively explored in previous studies. Here, by using hexagonal boron nitride (hBN) growth on a liquid gold surface as an example, we demonstrate that growth of WSSCs of 2D materials via the seamless coalescence of self-aligned 2D islands on a liquid substrate is possible. Here we show that, in the presence of hydrogen, all the hBN edges tend to be hydrogen terminated and the coalescence of hBN islands occurs only if their crystallographic lattices of neighboring hBN islands are aligned parallelly. The mechanism of hBN self-alignment revealed in this study implies that, under the optimum experimental condition, the seamless coalescence of 2D materials on a liquid substrate is possible and thus provides guidance for synthesizing WSSCs of various 2D materials by using liquid phase substrates

Mechanism of 2D Materials’ Seamless Coalescence on a Liquid Substrate

The seamless coalescence of parallelly aligned 2D materials is the primary route toward the synthesis of wafer-scale single crystals (WSSCs) of 2D materials. The epitaxial growth of various 2D materials on a single-crystal substrate, which is an essential condition of the seamless coalescence approach, has been extensively explored in previous studies. Here, by using hexagonal boron nitride (hBN) growth on a liquid gold surface as an example, we demonstrate that growth of WSSCs of 2D materials via the seamless coalescence of self-aligned 2D islands on a liquid substrate is possible. Here we show that, in the presence of hydrogen, all the hBN edges tend to be hydrogen terminated and the coalescence of hBN islands occurs only if their crystallographic lattices of neighboring hBN islands are aligned parallelly. The mechanism of hBN self-alignment revealed in this study implies that, under the optimum experimental condition, the seamless coalescence of 2D materials on a liquid substrate is possible and thus provides guidance for synthesizing WSSCs of various 2D materials by using liquid phase substrates

Mechanism of 2D Materials’ Seamless Coalescence on a Liquid Substrate

The seamless coalescence of parallelly aligned 2D materials is the primary route toward the synthesis of wafer-scale single crystals (WSSCs) of 2D materials. The epitaxial growth of various 2D materials on a single-crystal substrate, which is an essential condition of the seamless coalescence approach, has been extensively explored in previous studies. Here, by using hexagonal boron nitride (hBN) growth on a liquid gold surface as an example, we demonstrate that growth of WSSCs of 2D materials via the seamless coalescence of self-aligned 2D islands on a liquid substrate is possible. Here we show that, in the presence of hydrogen, all the hBN edges tend to be hydrogen terminated and the coalescence of hBN islands occurs only if their crystallographic lattices of neighboring hBN islands are aligned parallelly. The mechanism of hBN self-alignment revealed in this study implies that, under the optimum experimental condition, the seamless coalescence of 2D materials on a liquid substrate is possible and thus provides guidance for synthesizing WSSCs of various 2D materials by using liquid phase substrates

Mechanism of 2D Materials’ Seamless Coalescence on a Liquid Substrate

The seamless coalescence of parallelly aligned 2D materials is the primary route toward the synthesis of wafer-scale single crystals (WSSCs) of 2D materials. The epitaxial growth of various 2D materials on a single-crystal substrate, which is an essential condition of the seamless coalescence approach, has been extensively explored in previous studies. Here, by using hexagonal boron nitride (hBN) growth on a liquid gold surface as an example, we demonstrate that growth of WSSCs of 2D materials via the seamless coalescence of self-aligned 2D islands on a liquid substrate is possible. Here we show that, in the presence of hydrogen, all the hBN edges tend to be hydrogen terminated and the coalescence of hBN islands occurs only if their crystallographic lattices of neighboring hBN islands are aligned parallelly. The mechanism of hBN self-alignment revealed in this study implies that, under the optimum experimental condition, the seamless coalescence of 2D materials on a liquid substrate is possible and thus provides guidance for synthesizing WSSCs of various 2D materials by using liquid phase substrates

The Sequence Identity for the Constructed Homologous Structures

<p>Three different protein folds are studied: HPR domain (A,B), ROSSMAN fold (D,E), and SH3 domain (G,H). (A,C,E) The sequence identities of the redesigned proteins using the flexible-backbone design simulation are presented as the function of the backbone-RMSD from the reference protein. (B,D,F) The sequence identity of the core is also plotted against the overall sequence identity. The “twilight zone” of sequence identity (20%–30%) corresponds to regions between horizontal (A,C,E) or vertical (B,D,F) lines.</p

Mechanism of 2D Materials’ Seamless Coalescence on a Liquid Substrate

The seamless coalescence of parallelly aligned 2D materials is the primary route toward the synthesis of wafer-scale single crystals (WSSCs) of 2D materials. The epitaxial growth of various 2D materials on a single-crystal substrate, which is an essential condition of the seamless coalescence approach, has been extensively explored in previous studies. Here, by using hexagonal boron nitride (hBN) growth on a liquid gold surface as an example, we demonstrate that growth of WSSCs of 2D materials via the seamless coalescence of self-aligned 2D islands on a liquid substrate is possible. Here we show that, in the presence of hydrogen, all the hBN edges tend to be hydrogen terminated and the coalescence of hBN islands occurs only if their crystallographic lattices of neighboring hBN islands are aligned parallelly. The mechanism of hBN self-alignment revealed in this study implies that, under the optimum experimental condition, the seamless coalescence of 2D materials on a liquid substrate is possible and thus provides guidance for synthesizing WSSCs of various 2D materials by using liquid phase substrates

Mechanism of 2D Materials’ Seamless Coalescence on a Liquid Substrate

The seamless coalescence of parallelly aligned 2D materials is the primary route toward the synthesis of wafer-scale single crystals (WSSCs) of 2D materials. The epitaxial growth of various 2D materials on a single-crystal substrate, which is an essential condition of the seamless coalescence approach, has been extensively explored in previous studies. Here, by using hexagonal boron nitride (hBN) growth on a liquid gold surface as an example, we demonstrate that growth of WSSCs of 2D materials via the seamless coalescence of self-aligned 2D islands on a liquid substrate is possible. Here we show that, in the presence of hydrogen, all the hBN edges tend to be hydrogen terminated and the coalescence of hBN islands occurs only if their crystallographic lattices of neighboring hBN islands are aligned parallelly. The mechanism of hBN self-alignment revealed in this study implies that, under the optimum experimental condition, the seamless coalescence of 2D materials on a liquid substrate is possible and thus provides guidance for synthesizing WSSCs of various 2D materials by using liquid phase substrates

Mechanism of 2D Materials’ Seamless Coalescence on a Liquid Substrate

The seamless coalescence of parallelly aligned 2D materials is the primary route toward the synthesis of wafer-scale single crystals (WSSCs) of 2D materials. The epitaxial growth of various 2D materials on a single-crystal substrate, which is an essential condition of the seamless coalescence approach, has been extensively explored in previous studies. Here, by using hexagonal boron nitride (hBN) growth on a liquid gold surface as an example, we demonstrate that growth of WSSCs of 2D materials via the seamless coalescence of self-aligned 2D islands on a liquid substrate is possible. Here we show that, in the presence of hydrogen, all the hBN edges tend to be hydrogen terminated and the coalescence of hBN islands occurs only if their crystallographic lattices of neighboring hBN islands are aligned parallelly. The mechanism of hBN self-alignment revealed in this study implies that, under the optimum experimental condition, the seamless coalescence of 2D materials on a liquid substrate is possible and thus provides guidance for synthesizing WSSCs of various 2D materials by using liquid phase substrates

The Sequence Entropy Computed from Simulations versus the Naturally Occurring Sequence Entropy Computed from HSSP

<p>Three families of protein homologs were studied: HPR domain (A,D,G), ROSSMAN fold (B,E,H), and SH3 domain (C,F,I). The open circles (○) in (A–F) correspond to the functionally important residues. In (G–I), these functionally important residues are shown in stick representation. In (G,H), the SO₄²⁻ ions are used to mimic the phosphate anion in crystal preparation. In (I), the poly-proline peptide are shown in yellow and the peptide-binding residues form a continuous surface, shown in mesh representation.</p