Results 161 to 170 of about 31,277 (294)

Symmetry-Selective Ultrafast Charge Transfer via Cyano End Groups at the PDIF-CN₂-Au(111) Interface. [PDF]

Nano Lett
Kladnik G, Cassinese A, Schio L, Goldoni A, Morgante A, Floreano L, Cvetko D.   +6 more
europepmc   +1 more source

Modulation of Local Environment for Selective Bicarbonate Conversion to Multi‐Carbon Products

Advanced Energy Materials, EarlyView.
Highly porous Cu electrode partially coated with an ionomer/carbon composite enables efficient conversion of bicarbonate to multi‐carbon products. By regulating the local reaction microenvironment, this strategy overcomes selectivity and reaction‐rate limitations, achieving Faradaic efficiencies of 43% for ethylene and 60% for total multi‐carbon ...
Tai Nguyen, Anh N. Nguyen, Guorui Gao, Jackson Crane, Thành Trần‐Phú, Gelson Tavares da Silva, Aldo Gonzalez‐Lopez, Hung Lai, Khac Huy Dinh, Duc‐Minh Phan‐Pham, Martin Guay, Carlos Escobedo, Rosalie K. Hocking, Jonathan Raisin, Lucia H. Mascaro, Cao‐Thang Dinh   +15 more
wiley   +1 more source

When Do Band Gap Calculations Agree with Experiments in Monolayer-Protected Cu₁₄ and Au₂₀ Atomically Precise Nanoclusters? A (TD)-DFT Comparison of HOMO-LUMO, Fundamental, Optical, and Electrochemical Energy Gaps. [PDF]

J Phys Chem C Nanomater Interfaces
Elhajj S, Sarkar A, Wang Y, Jin R, Hu G, Wang G, Gozem S.   +6 more
europepmc   +1 more source

Surface Acidity Engineering: From Fundamental Insights to Universal Design Rules for Electrocatalytically and Electrically Active Oxides

Advanced Energy Materials, EarlyView.
This comprehensive review highlights surface acidity engineering as a versatile strategy to modulate surface charge and boost catalytic performance in functional oxides. It explores recent advances in practical implementation, structural reconstruction approaches, and mechanistic origins from diverse complementary viewpoints.
Gyu Rac Lee, Harry L. Tuller
wiley   +1 more source

Designing Diaryl Sulfide Electronic Properties: A Comprehensive DFT Guide to HOMO-LUMO Gaps and Reactivity Descriptors. [PDF]

ACS Omega
da Silva RS.
europepmc   +1 more source

A Solution for Exosome‐Based Analysis: Surface‐Enhanced Raman Spectroscopy and Artificial Intelligence

Advanced Intelligent Discovery, EarlyView.
Exosomes are emerging as powerful biomarkers for disease diagnosis and monitoring. This review highlights the integration of surface‐enhanced Raman spectroscopy with artificial intelligence to enhance molecular fingerprinting of exosomes. Machine learning and deep learning techniques improve spectral interpretation, enabling accurate classification of ...
Munevver Akdeniz, Zakarya Al‐Shaebi, Omer Aydin   +2 more
wiley   +1 more source

Water‐Derived Radical Species Initiate Six‐Electron Oxidation of Cyclic Ketones in Microdroplets

Angewandte Chemie, EarlyView.
Spontaneous six‐electron oxidation of cyclic ketones to yield dicarboxylic acids/keto acids is achieved in ethanol microdroplets containing about 2% water under ambient conditions without any metal salts, acids, or oxidants. Mechanistic studies show that trace amounts of water and molecular oxygen serve as active oxidants in this transformation ...
Muhammad Mujahid Ali, Manish Jana, William LeFever, Robert Graham Cooks   +3 more
wiley   +2 more sources

Detection of Atmospherically Relevant Mixed Mercuric Compounds by Chemical Ionization Mass Spectrometry. [PDF]

ACS Earth Space Chem
Bahramsari MB, Nguyen DB, Mao N, Duzha J, Eberhart MS, Khalizov AF.   +5 more
europepmc   +1 more source

Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion

Advanced Intelligent Discovery, EarlyView.
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia, Christian Mark Pelicano   +1 more
wiley   +1 more source

Kinetic Analysis of Transmetalation at Prototypical Nickel(II) Catalyst Species: Rates, Mechanisms, and Implications for Catalysis

Angewandte Chemie, EarlyView.
A 31P{1H} NMR method enabling direct measurement of transmetalation at Ni(II) is disclosed, providing an extensive kinetic dataset. Rates span five orders of magnitude and exhibit strong ligand dependence, with monodentate ligands promoting transmetalation.
Nicholas S. D. Solomon, Xuechun Huang, Christopher Richardson, Sinead T. Keaveney   +3 more
wiley   +2 more sources