Materials Literature
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The electronic structure of pristine graphene sheet and the resulting structure of adsorbing a single molecule of H2S on pristine graphene in three different sites (bridge, top, and hollow) are studied using the full potential linearized augmented plane wave method. Our calculations show that the adsorption of H2S mol…
The structure and magnetic properties of orthorhombic DyMnO3 nanoparticles with different particle sizes are investigated in this paper. With decreasing particle size, all the lattice parameters a, b, and c gradually decrease, whereas the orthorhombic distortion increases. Magnetic measurements reveal that the antifer…
We demonstrated a facile and effective synthesis of graphene oxide (GO)/conducting polymer (CPs, PANI and PPy) composites via an in situ oxidative polymerization suitable for supercapacitor application. A novel aldehyde–poly(ethylene glycol) modified graphene oxide (PEG–CHO/GO or APGO) was designed and synthesized. Ex…
Silver nanocrystals (NCs) stabilized using amine-terminated coating agents (oleylamine or dodecylamine), their size ranging between 2 and 12 nm in diameter, are synthesized by hot injection methods. Their dispersion in size is relatively low (typically below 10%) without the need for a postsynthesis size segregation p…
We have synthesized a series of poly(4-(2-tetrahydropyranyloxy)styrene) [P(OTHPSt)] homopolymers by living anionic polymerization of the protected monomer (OTHPSt) in tetrahydrofuran at −78 °C, with excellent control over molecular weight and dispersity. The high T g of P(OTHPSt) led to facile purification and isolati…
We report an innovative template-assisted synthetic protocol for the selective functionalization of terminal triple bonds in oligophenyleneethynylenes (OPE) by pre-organization in aqueous solution. By this approach, three new OPE-based bolaamphiphiles substituted with hydrophilic poly(2-ethyl-2-oxazoline) (PEtOx) chai…
Twisted-bilayer graphene (tBLG) exhibits van Hove singularities in the density of states that can be tuned by changing the twisting angle θ. A θ-defined tBLG has been produced and characterized with optical reflectivity and resonance Raman scattering. The θ-engineered optical response is shown to be consistent with pe…
The evaluation of pyrophosphatase (PPase) activity plays an important role in diagnosing diseases and understanding the function of PPase in the related biological events. In this work, an inhibition effect of pyrophosphate (PPi) on Cu(2+)-catalyzed H2O2-mediated oxidation of 2,2-azinobis(3-ethylbenzothiazoline)-6-sul…
The mechanisms of ethanol synthesis from syngas including CH x ( x = 1–3) species and C 2 oxygenates on the stepped Rh(211) surface have been systematically investigated by using density functional theory together with a periodic slab model. Our results show that among all CH x ( x = 1–3) species, CH 3 is the most fav…
In 1964 Q.M. Luttinger introduced an ingenious theoretical device to derive thermal transport coefficients. While thermal gradients that drive heat transport can not be included as a perturbation in the Hamiltonian, he showed that one could instead study a response to a pseudo-gravitational field that coupled to the e…
Here we report a facile efficient anodization approach to fabricate nickel oxalate nanostructures on nickel foam (NON@NF). The NON@NF electrode exhibits high specific capacitance and excellent cycling performance. Moreover, an assembled asymmetric supercapacitor based upon NON@NF and activated carbon shows excellent p…
Thiol–bromo click polymerization offers a convenient method to fabricate multifunctional polymers with a rational molecular design.
We dope graphene by evaporation of MoO3 or by solution-deposition of I2 and assess the doping stability for its use as transparent electrodes. Electrical measurements show that both dopants increase the graphene sheet conductivity and find that MoO3-doped graphene is significantly more stable during thermal cycling. R…
We present a generalized theory for studying phase separation in blends of polymers containing dipoles on their backbone. The theory is used to construct coexistence curves and to study the effects of dipolar interactions on interfacial tension for a planar interface between the coexisting phases. We show that a misma…
Abstract A class of double‐perovskite compounds display fast oxygen ion diffusion and high catalytic activity toward oxygen reduction while maintaining excellent compatibility with the electrolyte. The astoundingly extended stability of NdBa1−xCaxCo2O5+δ (NBCaCO) under both air and CO2‐containing atmosphere is reporte…
Materials with heavier atomic masses usually possess lower lattice thermal conductivity ($\ensuremath{\kappa}$). The reported $\ensuremath{\kappa}$ of IrSb3 skutterudite is about 35% higher than that of CoSb3, despite Ir being much heavier than Co. We study the lattice dynamics and $\ensuremath{\kappa}$ of $\mathrm{Co…
Intracellular temperature imaging could help to understand diverse biological reactions and functions in living cells. Herein, we report a nanothermometer based on ratiometric fluorescent polymers (RFPs) synthesized by the living/controlled reversible addition-fragmentation transfer polymerization method for intracell…
Although the electronic properties of graphene layers can be modulated by various doping techniques, most of doping methods cost degradation of structural uniqueness or electrical mobility. It is matter of huge concern to develop a technique to improve the electrical properties of graphene while sustaining its superio…
The main goal of this work is to study the relationship between the surface chemistry of activated carbon (AC) and the performance of respective gold-supported catalysts in the acetylene hydrochlorination. For this purpose, a set of modified activated carbons with different levels of oxygenated groups on the surface,…
The redox and associative carboxyl pathways of the water–gas shift reaction have been investigated at a corner Pt site of the Pt/TiO 2 (110) interface using density functional theory and microkinetic modeling techniques. Overall rates calculated from the microkinetic model suggest that the redox pathway dominates in t…