Results 161 to 170 of about 22,644 (262)
Advanced Materials, EarlyView.Fluorene‐functionalized spiro‐phenothiazine (PTZ‐Fl) exhibits strong Li+ affinity and thermal stability, enabling a PCE of 25.75% in small‐area cells and 22.07% in 25 cm2 modules. Under ISOS‐L3 conditions, PTZ‐Flbased devices retain over 80% efficiency after 1000 hours, demonstrating superior stability and scalability compared to spiro‐OMeTAD for next ...
Javier Urieta‐Mora +17 more
wiley +1 more source
Understanding the coupling of non-metallic heteroatoms to CO2 from a Conceptual DFT perspective. [PDF]
J Mol ModelFerrer M +3 more
europepmc +1 more source
Advanced Materials, EarlyView.AI‐Assisted Workflow for (Scanning) Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling. Abstract (Scanning) transmission electron microscopy ((S)TEM) has significantly advanced materials science but faces challenges in correlating precise atomic structure information with the functional properties of ...
Marc Botifoll +19 more
wiley +1 more source
Advanced Materials, EarlyView.The seminal transformation of a 2D‐COF (SURFCOF‐IMDEA1) into a 2D porous COF (SURFCOF‐IMDEA2) on Au(111) by a sequential C‐C coupling and ladderization triggered by thermal annealing steps at increasing temperatures is reported. Abstract The development of covalent organic frameworks (COFs) is currently a primary objective in materials science, taking ...
Ana Barragán +11 more
wiley +1 more source
Calculation of the Global and Local Conceptual DFT Indices for the Prediction of the Chemical Reactivity Properties of Papuamides A-F Marine Drugs. [PDF]
Molecules, 2019 Flores-Holguín N +2 more
europepmc +1 more source
Advanced Materials, EarlyView.This study demonstrates a monolithic perovskite OELG device that performs all eight logic operations, including XOR and XNOR, without external bias. Enabled by trap‐engineered MAPbI3:PLL and dual photogates, it achieves reconfigurable logic and parallel decoding of amplitude–frequency signals, supporting scenario‐configured logic‐level separation for ...
Dante Ahn +13 more
wiley +1 more source
The hunt for reactive alkynes in bio-orthogonal click reactions: insights from mechanochemical and conceptual DFT calculations. [PDF]
Chem Sci, 2019 Bettens T +3 more
europepmc +1 more source
Advanced Materials, EarlyView.Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu +3 more
wiley +1 more source
A Functional 2D Carbon Allotrope Combining Nanoporous Graphene and Biphenylene Segments
Advanced Materials, EarlyView.The synthesis of a novel nanoporous graphene (NPG) is reported with biphenylene segments via thermal fusion of 12‐armchair porous graphene nanoribbons grown on gold surfaces. Characterization using STM, AFM, and DFT reveals low‐defect semiconducting behaviour and tunable band gaps.
Paula Angulo‐Portugal +14 more
wiley +1 more source
Review of Thin Lithium Metal Battery Anode Fabrication – Microstructure – Electrochemistry Relations
Advanced Materials, EarlyView.Thin, lightweight lithium‐metal anodes are pivotal for practical high‐energy batteries. This review surveys processing routes that convert diverse Li precursors, e.g., ingots, melts, solutions, and vapor, into Li‐rich foils with controlled thickness, areal density, and tailored functionality.
Yuhang Hu +6 more
wiley +1 more source