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Organic–Inorganic Hybrid Ruddlesden–Popper Perovskites: An Emerging Paradigm for High-Performance Light-Emitting Diodes
10.1021/acs.jpclett.8b00755 2018-04-18 Recently, lead halide perovskite materials have attracted extensive interest, in particular, in the research field of solar cells. These materials are fascinating “soft” materials with semiconducting properties comparable to the best inorganic semiconductors ... |
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Unambiguous Signature of the Berry Phase in Intense Laser Dissociation of Diatomic Molecules
10.1021/acs.jpclett.8b00607 2018-04-18 We report strong evidence of Berry phase effects in intense laser dissociation of D2+ molecules, manifested as Aharonov–Bohm-like oscillations in the photofragment angular distribution (PAD). Our calculations show that this interference pattern strongly depen... |
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Eliminating Spurious Zero-Efficiency FRET States in Diffusion-Based Single-Molecule Confocal Microscopy
10.1021/acs.jpclett.8b00362 2018-04-18 Single-molecule Förster resonance energy transfer (smFRET) of freely diffusing biomolecules using confocal microscopy is a simple and powerful technique for measuring conformation and dynamics. However, a spurious zero-FRET population can significantly distor... |
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Dissecting Nanosecond Dynamics in Membrane Proteins with Dipolar Relaxation upon Tryptophan Photoexcitation
10.1021/acs.jpclett.8b00834 2018-04-17 The structural dynamics of proteins on the nanosecond time scale can be probed with dipolar relaxation in response to photoexcitation of intrinsic tryptophan (Trp) residues. For membrane proteins, however, the complexity due to overlapping contributions from ... |
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Agonists of G-Protein-Coupled Odorant Receptors Are Predicted from Chemical Features
10.1021/acs.jpclett.8b00633 2018-04-17 Predicting the activity of chemicals for a given odorant receptor is a longstanding challenge. Here the activity of 258 chemicals on the human G-protein-coupled odorant receptor (OR)51E1, also known as prostate-specific G-protein-coupled receptor 2 (PSGR2), w... |
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First-Principles Investigation of the Formation of Pt Nanorafts on a Mo2C Support and Their Catalytic Activity for Oxygen Reduction Reaction
10.1021/acs.jpclett.8b00949 2018-04-17 We use first-principles calculations to study the formation of Pt nanorafts and their oxygen reduction reaction (ORR) catalytic activity on Mo2C. Due to the high Pt binding energy on C atoms, Pt forms sheet-like structures on the Mo2C surface instead of agglo... |
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Hot Biexciton Effect on Optical Gain in CsPbI3 Perovskite Nanocrystals
10.1021/acs.jpclett.8b01029 2018-04-17 Combining the superior optical properties of their bulk counterparts with quantum confinement effects, lead halide perovskite nanocrystals are unique laser materials with low-threshold optical gain. In such nonlinear optical regimes, multiple excitons are gen... |
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Measurement of Kinetics and Active Site Distances in Metalloenzymes Using Paramagnetic NMR with 13C Hyperpolarization
10.1021/acs.jpclett.8b00350 2018-04-17 Paramagnetic relaxation enhancement (PRE) conjoint with hyperpolarized NMR reveals structural information on the enzyme–product complex in an ongoing metalloenzyme-catalyzed reaction. Substrates of pseudouridine monophosphate glycosidase are hyperpolarized us... |
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Critical Role of Water in Defect Aggregation and Chemical Degradation of Perovskite Solar Cells
10.1021/acs.jpclett.8b00406 2018-04-16 The chemical stability of methylammonium lead iodide (MAPbI3) under humid conditions remains the primary challenge facing halide perovskite solar cells. We investigate defect processes in the water-intercalated iodide perovskite (MAPbI3_H2O) and monohydrated ... |
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Pressure-Induced Topological Phase Transitions in CdGeSb2 and CdSnSb2
10.1021/acs.jpclett.8b00646 2018-04-16 Using first-principles calculations, we study the occurrence of topological quantum phase transitions (TQPTs) as a function of hydrostatic pressure in CdGeSb2 and CdSnSb2 chalcopyrites. At ambient pressure, both materials are topological insulators, having a ... |