Interaction of substituted poly(phenyleneethynylene)s with ligand-stabilized CdS nanoparticles

Abstract

The interfacial region of surface-modified semiconducting nanoparticles and polymers contributes to the limited efficiency of hybrid photovoltaic cells and has been analyzed by molecular simulation at atomic resolution to complement experimental measurements.

Mesopore‐Induced Ultrafast Na+‐Storage in T‐Nb2O5/Carbon Nanofiber Films toward Flexible High‐Power Na‐Ion Capacitors

“…Therefore, our GF/mCNF cathode has both high supercapacitive performance and excellent flexibility, which is apparently superior to most used commercial AC. [31,[67][68][69] According to the specific capacity and the potential window for m-Nb 2 O 5 /CNF and GF/mCNF, the optimal mass ratio is m m-Nb2O5/CNF /m GF@CNF = 1:3 according to the charge balance. Considering that the main capacity contribution of the anode and the cathode is from the different potential windows for m-Nb 2 O 5 /CNF (0.01-2.5 vs Na/Na + ) and GF/mCNF (2.5-4.5 V vs Na/Na + ), and possible electrolyte decomposition occurs at the high voltage, the voltage window of 0-4 V is applied to investigate the Na-storage performance of the NIC device.…”

Prediction of Specific Biomolecule Adsorption on Silica Surfaces as a Function of pH and Particle Size

“…9,19,20 However, limitations of current laboratory instrumentation pose difficulties to answer questions related to silica biomineralization and specific molecular recognition at the scale of 1 to 100 nm while complementary guidance from simulations can be very helpful. 9,18,[21][22][23][24][25][26][27][28][29][30][31][32][33][34][35][36] Studies by biopanning and molecular simulation with the polymer consistent force field (PCFF) extended to silica recently identified a range of contributions to specific adsorption of 4 peptides on amorphous silica particles. 9,10,26 These contributions include ion pairing between positively charged groups in the peptides and siloxide groups on the silica surface accompanied by neutralization of the ζ-potential, hydrogen bonds, van-der-Waals interactions with the surface, and conformation effects.…”

Thin and surface adhesive ferroelectric poly(vinylidene fluoride) films with β phase‐inducing amino modified porous silica nanofillers

“…Excess loading of nanofiller 10 wt % might be cause aggregation of nanoparticles hence peak intensity of 511 cm 21 , 840 cm 21 , and 1275 cm 21 of b phase are decreased. 29,31 FTIR studies indicate role of amine modification in generating b phase. The increase in b phase formation of PVDF through incorporation of different weight percentages of PAM and PAF is calculated by semi-quantitative analysis of FTIR peaks through relative intensity ratio of b phase estimated using given equation.…”

“…28 Highly uniform PVDF ceramic nanohybrids with high energy density show high permittivity with filler BaTiO 3 nanocrystals 29,30 whereas hydroxylated Ba 1-x Sr x TiO 3 and Pb(Zr, Ti)O 3 nanofillers show significantly enhanced dielectric energy density compared to pure PVDF. 24,31,32 PVDF nanohybrids incorporated with different nanofillers such as ZnO nanowires, deoxyribonucleic acid (DNA) and hydrated salt are proposed in the field of self-powered microwire-based pH sensor 33 and nanogenerators for energy harvesting. 34,35 Extensive research in PVDF composites with nanosilica fillers is being done due to their facile chemical functionalization with extremely large surface area for improving some of the above discussed properties of PVDF.…”