-
Article
Quasi-two-dimensional strong liquid-like dynamics of surface atoms in metallic glasses
The fast dynamic properties of the surface of metallic glasses (MGs) play a critical role in determining their potential applications. However, due to the significant difference in thermal history between atom...
-
Article
Open AccessM2 microglia-derived exosome-loaded electroconductive hydrogel for enhancing neurological recovery after spinal cord injury
Electroconductive hydrogels offer a promising avenue for enhancing the repair efficacy of spinal cord injuries (SCI) by restoring disrupted electrical signals along the spinal cord’s conduction pathway. Noneth...
-
Article
Oxidation-induced superelasticity in metallic glass nanotubes
Although metallic nanostructures have been attracting tremendous research interest in nanoscience and nanotechnologies, it is known that environmental attacks, such as surface oxidation, can easily initiate cr...
-
Article
Entropy-driven atomic activation in supercooled liquids and its link to the fragile-to-strong transition
As a common but critical dynamic crossover in glass-forming liquids (GFLs), the discovery of fragile-to-strong (F-S) transition promises a novel route for understanding supercooled liquid and glass transition....
-
Article
Theoretical Modeling of Site Selectivity and Chemical Substitution Effect of H2O2 Production Efficiency on Modified Graphene
Electrochemical catalysis provides a clean and economical way for hydrogen peroxide synthesis. In this work, two-electron oxygen reduction activity on the functionalized graphene is studied via density functio...
-
Article
Long-range ordered and atomic-scale control of graphene hybridization by photocycloaddition
Chemical reactions that convert sp2 to sp3 hybridization have been demonstrated to be a fascinating yet challenging route to functionalize graphene. So far it has not been possible to precisely control the reacti...
-
Article
A direct H2O2 production based on hollow porous carbon sphere-sulfur nanocrystal composites by confinement effect as oxygen reduction electrocatalysts
Carbon-sulfur composites have drawn increasing interest in various fields including electrocatalysis because of their unique structures. However, carbon-sulfur composite with tiny sulfur nanocrystals has still...
-
Article
Open AccessLow-frequency vibrational modes of stable glasses
Unusual features of the vibrational density of states D(ω) of glasses allow one to rationalize their peculiar low-temperature properties. Simulational studies of D(ω) have been restricted to studying poorly annea...
-
Article
Structural disorder in fused silica with ODC(I) defect
The role of static disorder properties for oxygen deficiency center (ODC(I)) has been investigated in 96-atoms fused silica supercell by first-principles methods. 64 ODC(I) defect structures were built and the...
-
Article
\(L^p\) Christoffel–Minkowski problem: the case \(1< p<k+1\)
We consider a fully nonlinear partial differential equation associated to the intermediate \(L^p\) ...
-
Article
Crown oxygen-do** graphene with embedded main-group metal atoms
Different main-group metal atoms embedded in crown oxygen-do** graphene (metal@OG) systems are studied by the density functional theory. The binding energies and electronic structures are calculated by usin...
-
Article
Open AccessNew twinning route in face-centered cubic nanocrystalline metals
Twin nucleation in a face-centered cubic crystal is believed to be accomplished through the formation of twinning partial dislocations on consecutive atomic planes. Twinning should thus be highly unfavorable i...
-
Article
Open AccessQuasiparticle and optical properties of strained stanene and stanane
Quasiparticle band structures and optical properties of two dimensional stanene and stanane (fully hydrogenated stanene) are studied by the GW and GW plus Bethe–Salpeter equation (GW-BSE) approaches, with incl...
-
Article
Tunable band gaps in stanene/MoS2 heterostructures
First-principles calculations have been performed to investigate the geometric and electronic properties of stanene layer paired with monolayer MoS2 substrate with van der Waals corrections. It is found that the ...
-
Article
Curvature estimates for immersed hypersurfaces in Riemannian manifolds
We establish mean curvature estimate for immersed hypersurface with nonnegative extrinsic scalar curvature in Riemannian manifold $$(N...
-
Article
Open AccessStructural and electronic properties of two-dimensional stanene and graphene heterostructure
Structural and electronic properties of two-dimensional stanene and graphene heterostructure (Sn/G) are studied by using first-principles calculations. Various supercell models are constructed in order to redu...
-
Article
First-principles study of the structural, elastic and electronic properties of Pt3M alloys
Pt based alloys are one of the most important intermetallic materials with widespread applications. In this article, we have investigated the structural stability, elastic modulus, and electronic structure of Pt3
-
Article
Open AccessStructural Properties and Phase Transition of Na Adsorption on Monolayer MoS2
First-principles calculations are performed to investigate the structural stability of Na adsorption on 1H and 1T phases of monolayer MoS2. Our results demonstrate that it is likely to make the stability of disto...
-
Article
Open AccessAtomic scale observation of oxygen delivery during silver–oxygen nanoparticle catalysed oxidation of carbon nanotubes
To probe the nature of metal-catalysed processes and to design better metal-based catalysts, atomic scale understanding of catalytic processes is highly desirable. Here we use aberration-corrected environmenta...
-
Article
A rigidity theorem for codimension one shrinking gradient Ricci solitons in \({\mathbb {R}}^{n+1}\)
We prove a splitting theorem for complete gradient Ricci solitons with nonnegative curvature and establish a rigidity theorem for codimension one complete shrinking gradient Ricci solitons in
