Results 201 to 210 of about 7,558,016 (299)

Single‐Chromophore Homojunction Organic Solar Cells: A Path to Simplicity and Efficiency

Advanced Materials, EarlyView.
This perspective discusses how the intrinsic optoelectronic properties of organic semiconductors, their molecular packing in the solid‐state, and internal energetic gradients within a device can enable free‐charge carrier generation in homojunction organic solar cells.
Shaun McAnally, Paul L. Burn, Paul E. Shaw   +2 more
wiley   +1 more source

Electronic states and contact ion pair formation in lithium-ion electrolytes investigated by far-ultraviolet spectroscopy and quantum chemical calculations. [PDF]

Chem Sci
Sato H, Ueno N, Tanabe I.
europepmc   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

Quantum Chemical Calculations, Topological Properties, ADME/Molecular Docking Studies, and Hirshfeld Surface Analysis on Some Organic UV-Filters. [PDF]

ACS Omega
Akman F, Kutlu B.
europepmc   +1 more source

Thermal‐Driven Diode Polarity Switching From Competing Helical Superconducting States in WTe2/α‐Fe2O3 Heterostructures

Advanced Materials, EarlyView.
A Nb‐proximitized Josephson junction based on a WTe2/α‐Fe2O3 heterostructure exhibits a robust superconducting diode effect with programmable polarity. The diode direction can be trained by magnetic fields and switched by temperature cycling, revealing tunable finite‐momentum pairing states and competing superconducting states in symmetry‐broken ...
Enze Zhang, Grant Z. X. Yang, Zi‐Ting Sun, Xinhou Chen, Shishun Zhao, Chufan Chen, Chenhui Zhang, Fanrui Hu, K. T. Law, Hyunsoo Yang   +9 more
wiley   +1 more source

Theoretical Analysis of Coordination Geometries in Transition Metal-Histidine Complexes Using Quantum Chemical Calculations. [PDF]

Molecules
Zhang D, Kishimoto N.
europepmc   +1 more source

Transparent Perovskite Light‐Emitting Diodes with Conductive Oxide Top Electrodes

Advanced Materials, EarlyView.
Transparent perovskite light‐emitting diodes (TrPeLEDs) enable simultaneous display and transparency, expanding application possibilities. Using a metal oxide buffer layer and pulsed laser deposition, TrPeLEDs with diverse compositions and architectures are demonstrated.
Michele Forzatti, Sergio Martínez‐Saiz, Morena Cervino, Edoardo Stanzani, Sandra Jenatsch, Qingsen Zeng, Joo Sung Kim, Dong‐Hyeok Kim, Eojin Yoon, Tae‐Woo Lee, Daniel Tordera, Henk J. Bolink   +11 more
wiley   +1 more source

Mechanisms for the Spin-State Switching of Strapped Ni-Porphyrin Complexes Deposited on Metal Surfaces: Insights from Quantum Chemical Calculations. [PDF]

Small
Montenegro-Pohlhammer N, Sánchez-de-Armas R, Gruber M, Calzado CJ.   +3 more
europepmc   +1 more source

Thermodynamic Limits to Molecular Doping in Conjugated Polymers: A Perspective on Phase Behavior and Miscibility

Advanced Materials, EarlyView.
Molecular doping of conjugated polymers is fundamentally constrained by thermodynamic phase behavior. This Perspective reframes doping efficiency and stability in terms of miscibility limits, binodals, and solvus boundaries, highlighting the role of effective interaction parameters and charge transfer.
Somayeh Kashani, Justin Neu, Sung‐Joo Kwon, Runqio Song, Zixuan Chen, Tajah Trapier, Paschalis Gkoupidenis, David Ginger, Wei You, Jasper J. Michels, Harald Ade   +10 more
wiley   +1 more source

Completing the Spectral Mosaic of Chloromethane by Adding the CHD₂Cl Missing Piece Through the Interplay of Rotational/Vibrational Spectroscopy and Quantum Chemical Calculations. [PDF]

Molecules
Melosso M, Stoppa P, Alvarado-Jiménez D, Tamassia F, Sapienza C, Bizzocchi L, Dore L, Puzzarini C, Pietropolli Charmet A, Tasinato N.   +9 more
europepmc   +1 more source