|
Phonon Energy Dependent Energy Transfer Upconversion for the Red Emission in the Er3+/Yb3+ System
10.1021/acs.jpcc.8b02446 2018-04-18 The red emission through upconversion (UC) upon 980 nm excitation based on Er3+/Yb3+ combination is very attractive for bioimaging applications. The intensity of the red emission is observed to be strongly dependent on the host materials. However, the origin ... |
|
|
Significantly Improving the Prediction of Molecular Atomization Energies by an Ensemble of Machine Learning Algorithms and Rescanning Input Space: A Stacked Generalization Approach
10.1021/acs.jpcc.8b03405 2018-04-18 Machine learning holds the promise of learning the energy functional via examples, bypassing the need to solve complicated quantum–chemical equations and realizing efficient computing of molecular electronic properties. However, a single machine learning mode... |
|
|
Surface Termination—A Key Factor to Influence Electronic and Optical Properties of CsSnI3
10.1021/acs.jpcc.7b11976 2018-04-18 Despite great efforts devoted to the unusual optoelectronic properties for the bulk inorganic halide perovskites, overcoming the surface effects and bringing about selective growth in the specified surface termination are still a challenge. In this paper, we ... |
|
|
Two-Photon Excitation Fluorescence Spectroscopy of Quantum Dots: Photophysical Properties and Application in Bioassays
10.1021/acs.jpcc.7b12345 2018-04-18 The applications of quantum dots (QDs) in two-photon (2P) excitation applications demand reliable data about their 2P absorption (2PA) cross sections (σ2PA). In the present study, σ2PA values have been determined for a series of commercial colloidal CdSe/ZnS ... |
|
|
Theoretical Model and Numerical Simulation of Adsorption and Deformation in Flexible Metal–Organic Frameworks
10.1021/acs.jpcc.8b00924 2018-04-18 Metal–organic frameworks (MOFs) have recently attracted considerable attention as new nanoporous materials with applications to separation of fluid mixtures, catalysis, gas capture and storage, and drug delivery. A subclass of MOFs, the MIL-53 (with Al or Cr)... |
|
|
Chemically Induced Formation of Monovalent Cd+ Ions and Reversible O2 Activation in Cadmium-Loaded ZSM-5 Zeolite
10.1021/acs.jpcc.8b01744 2018-04-18 We have studied the nature of monovalent Cd+ (4d10 5s1) species generated in a Cd-loaded HZSM-5 zeolite by reaction with molecular O2. The open-shell species formed in the different steps of the—reversible—reaction are characterized by electron paramagnetic r... |
|
|
Phase Separation and Development of Proton Transport Pathways in Metal Oxide Nanoparticle/Nafion Composite Membranes during Water Uptake
10.1021/acs.jpcc.8b02535 2018-04-18 Nafion has been extensively used as a proton exchange membrane in the promising energy source of polymer electrolyte fuel cells. However, the phase morphology in Nafion, which basically governs its unique proton transport capability, is very sensitive to the ... |
|
|
Deep Insights into the Processes Occurring during Early Stages of the Formation and Room-Temperature Evolution of the Core (Amorphous SiO2)@Shell (Organocations) Nanoparticles
10.1021/acs.jpcc.8b00024 2018-04-18 Following the assumption that the crucial processes governing the formation, properties, and evolution of the core (amorphous silica)@shell (organocations) nanoparticles (NPs) take place during short-time, room-temperature (rt) stirring/aging of the homogeneo... |
|
|
PdCu Alloy Flower-like Nanocages with High Electrocatalytic Performance for Methanol Oxidation
10.1021/acs.jpcc.8b01095 2018-04-18 PdCu alloy flower-like nanocages are synthesized through corner-etched Cu2O octahedra as templates by galvanic reaction and disproportionation reaction. PdCu alloy nanocages are obtained with the molar ratio of H2PdCl4/Cu2O = 1:1, and the Pd nanoparticles are... |
|
|
Dopant Effects of Gd3+ on the Electrochemical Pseudocapacitive Characteristics of Electroactive Mesoporous NiO Electrodes for Supercapacitors
10.1021/acs.jpcc.7b11643 2018-04-18 Undoped and gadolinium doped nanostructured mesoporous materials, such as NiO, Ni0.98Gd0.02O, Ni0.95Gd0.05O, and Ni0.92Gd0.08O, were synthesized by a facile hydrothermal route using urea as the hydrolysis controlling agent and were studied for supercapacitor ... |