A carbonized plain-weave silk fabric is fabricated into wearable and robust strain sensors, which can be stretched up to 500% and show high sensitivity in a wide strain range. This sensor can be assembled into wearable devices for detection of both large and subtle human activities, showing great potential for monitoring human motions and personal health.

The selective ion penetration and water purification properties of freestanding graphene oxide (GO) membranes are demonstrated. Sodium salts permeated through GO membranes quickly, whereas heavy-metal salts infiltrated much more slowly. Interestingly, copper salts were entirely blocked by GO membranes, and organic contaminants also did not infiltrate. The mechanism of the selective ion-penetration properties of the GO membranes is discussed. The nanocapillaries formed within the membranes were responsible for the permeation of metal ions, whereas the coordination between heavy-metal ions with the GO membranes restricted the passage of the ions. Finally, the penetration processes of hybrid aqueous solutions were investigated; the results revealed that sodium salts can be separated effectively from copper salts and organic contaminants. The presented results demonstrate the potential applications of GO in areas such as barrier separation and water purification.

Rapid progress in graphene-based applications is calling for new processing techniques for creating graphene components with different shapes, sizes, and edge structures. Here we report a controlled cutting process for graphene sheets, using nickel nanoparticles as a knife that cuts with nanoscale precision. The cutting proceeds via catalytic hydrogenation of the graphene lattice, and can generate graphene pieces with specifi c zigzag or armchair edges. The size of the nanoparticle dictates the edge structure that is produced during the cutting. The cutting occurs along straight lines and along symmetry lines, defined by angles of 60º or 120º, and is defl ected at free edges or defects, allowing practical control of graphene nano-engineering.

Water transport through graphene-derived membranes has gained much interest recently due to its promising potential in filtration and separation applications. In this work, we explore water permeation in graphene oxide membranes using atomistic simulations and theoretical analysis, by considering flow through the interlayer gallery, expanded channels such as wrinkles of interedge spaces, and pores within the sheet. We find that, although flow enhancement can be established by nanoconfinement, fast water transport through pristine graphene channels is prohibited by a prominent side-pinning effect from capillaries formed within oxidized regions. We then discuss several flow enhancement mechanisms through the porous microstructures of graphene oxide membranes. These understandings are integrated into a complete picture to understand water permeation through the layer-by-layer and porous microstructure and can guide rational design of functional membranes for energy and environmental applications.

Graphene and graphene oxide (G-O) have been demonstrated to be excellent filters for various gases and liquids, showing potential applications in areas such as molecular sieving and water desalination. In this paper, the selective trans-membrane transport properties of alkali and alkaline earth cations through a membrane composed of stacked and overlapped G-O sheets ("G-O membrane") are investigated. The thermodynamics of the ion transport process reveal that the competition between the generated thermal motions and the interactions of cations with the G-O sheets results in the different penetration behaviors to temperature variations for the considered cations (K(+), Mg(2+), Ca(2+), and Ba(2+)). The interactions between the studied metal atoms and graphene are quantified by first-principles calculations based on the plane-wave-basis-set density functional theory (DFT) approach. The mechanism of the selective ion trans-membrane transportation is discussed further and found to be consistent with the concept of cation-π interactions involved in biological systems. The balance between cation-π interactions of the cations considered with the sp(2) clusters of G-O membranes and the desolvation effect of the ions is responsible for the selectivity of G-O membranes toward the penetration of different ions. These results help us better understand the ion transport process through G-O membranes, from which the possibility of modeling the ion transport behavior of cellular membrane using G-O can be discussed further. The selectivity toward different ions also makes G-O membrane a promising candidate in areas of membrane separations.

The roles of defects including monatomic vacancies and Stone-Wales dislocations in the mechanical and thermal properties of graphene are investigated here through molecular dynamics (MD) simulations. The results show that Young’s modulus of a defected graphene sheet has a gentle dependence with the concentration of defects, while the thermal conductivity is much more sensitive. Analysis based on the effective medium theory (EMT) indicates that this sensitivity originates from the scattering of phonons by defects and delocalized interaction between them, which leads to a transition from propagating to diffusive mode as the concentration increases.

Graphene is a fascinating material not only for technological applications, but also as a test bed for fundamental insights into condensed matter physics due to its unique two-dimensional structure. One of the most intriguing issues is the understanding of the properties of graphene and various substrate materials. In particular, the interfaces between graphene and metal substrates are of critical importance in applications of graphene in integrated electronics, as thermal materials, and in electromechanical devices. Here we investigate the structure and mechanical interactions at a graphene-metal interface through density functional theory (DFT)-based calculations. We focus on copper (111) and nickel (111) surfaces adhered to a monolayer of graphene, and find that their cohesive energy, strength and electronic structure correlate directly with their atomic geometry. Due to the strong coupling between open d-orbitals, the nickel-graphene interface has a much stronger cohesive energy with graphene than copper. We also find that the interface cohesive energy profile features a well-and-shoulder shape that cannot be captured by simple pair-wise models such as the Lennard-Jones potential. Our results provide a detailed understanding of the interfacial properties of graphene-metal systems, and help to predict the performance of graphene-based nanoelectronics and nanocomposites. The availability of structural and energetic data of graphene-metal interfaces could also be useful for the development of empirical force fields for molecular dynamics simulations.

The fracture of polycrystalline graphene is explored by performing molecular dynamics simulations with realistic finite-grain-size models, emphasizing the role of grain boundary ends and junctions. The simulations reveal a ~50% or more strength reduction due to the presence of the network of boundaries between polygonal grains, with cracks preferentially starting at the junctions. With a larger grain size, a surprising systematic decrease of tensile strength and failure strain is observed, while the elastic modulus rises. The observed crack localization and strength behavior are well-explained by a dislocation-pileup model, reminiscent of the Hall-Petch effect but coming from different underlying physics.