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High-Pressure Insertion of Dense H-2 into a Model Zeolite

期刊: JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (13)

Our combined high-pressure synchrotron X-ray diffraction and Monte Carlo modeling studies show super-filling of the zeolite, and computational results......

Centimeter-Scale Porous Ta3N5 Single Crystal Monolith Enhances Photoelectrochemical Performance

期刊: JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (15)

Semiconductor materials play an important role in converting solar energy to electrical chemical energy as a photoanode to realize photoelectrochemica......

Nondestructive and Controllable Anion Exchange of Halide Perovskite Films through Finkelstein Reaction

期刊: JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (17)

Anion exchange of halide perovskite has been successfully demonstrated as an effective route to modulate its optoelectronic properties; however, it ge......

Effects of Uniaxial Lattice Strain and Explicit Water Solvation on CO2 Electroreduction over a Cu Electrode: A Density Functional Theory Perspective

期刊: JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (17)

Strain engineering of metal-based catalysts has emerged as an efficient solution to breaking of scaling relations of adsorbed species in a catalytic r......

Molecular Adsorption Kinetics: Nonlinear Entropy-Enthalpy Loss Quantified by Constrained AIMD and Insights into the Adsorption-Site Determination on Metal Oxides

期刊: JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (20)

Quantifying the molecular adsorption/ desorption rate is vital in ascertaining the catalytic activity/mechanism but falls far short of expectations, l......

Flexible-Rigid Synergetic Strategy for Saddle-Shaped Perylene Diimide Acceptors in As-Cast Polymer Solar Cells

期刊: JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (20)

Pioneering work referring to perylene diimide (PDI) acceptors has been conducted for a long period, and great efforts have been devoted to hinder the ......

Single-Layer MX2 (M = Zn, Cd and X = Cl, I): Auxetic Semiconductors with Strain-Tunable Optoelectronic Properties

期刊: JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (23)

The emergence of novel two-dimensional (2D) materials with multifunctional properties provides new possibilities for nanoscale applications. Here, bas......

Discovering the Link between Electrochemiluminescence and Energy Transfer Pathways for Mn-Doped CsPbCl3 Quantum Dot Films

期刊: JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (24)

Electrochemiluminescence (ECL) of Mn-doped CsPbCl3 perovskite quantum dot (MPQ) films was investigated for the first time. The electrochemical propert......

Linear Relationship between the Dielectric Constant and Band Gap in Low-Dimensional Mixed-Halide Perovskites

期刊: JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (27)

Inorganic halide perovskites CsPbX3 (X = Cl, Br, I) with excellent thermal stability are widely drawing increasing attention from researchers in light......

Design of a Giant Magnetoresistance Device with High Spin Filter Efficiency

期刊: JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (28)

Molecular spintronics may boost the development of nano-scale devices with improved performance and enhanced functionality, which is very promising fo......

Revealing Active Function of Multicomponent Electrocatalysts from In Situ Nickel Redox for Oxygen Evolution

期刊: JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (30)

The microscopic electrode process of oxygen evolution reaction (OER) is crucial for the rational design of efficient multiscale systems in modern elec......

Organic Micro-/Nanocrystals of SFX-Based Attractor-Repulsor Molecules with the Feature of Crystal-Induced Luminescence Enhancement

期刊: JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (11)

Spirofluorenexanthanes (SFXs), as burgeoning second-generation spiro compounds beyond spirobifluorenes (SBFs), can serve as versatile scaffolds for lo......

Assessment of the Mass Factor for the Electron-Phonon Coupling in Solids

期刊: JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (11)

Electron-phonon (e-ph) interaction plays an important role in addressing the renormalization of the electronic structure properties. Even at 0 K, such......

Tuning the Interactions of Methylammonium Acetate with Acetonitrile to Create Efficient Perovskite Solar Cells

期刊: JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (12)

The elucidation of intermolecular interactions for the systematic control of nucleation and crystallization is key to produce perovskite photovoltaics......

Mechanism of Metal Intercalation under Graphene through Small Vacancy Defects

期刊: JOURNAL OF PHYSICAL CHEMISTRY C, 2021; 125 (12)

Metal intercalation under graphene has attracted extensive experimental and theoretical research because of its capability to manipulate the electroni......

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