Results 221 to 230 of about 515,767 (328)

Dual Side Chain Functionalization of Small Molecule Acceptors Affords High‐Performance Organic Solar Cells With Refined Blend Morphology

Advanced Functional Materials, EarlyView.
A new small‐molecule acceptor (SMA‐Ph‐CF3) is developed using a dual side chain functionalization strategy that incorporates trifluoromethyl and phenyl groups. This approach enables precise tuning of blend morphology, leading to the fabrication of high‐performance organic solar cells with a power conversion efficiency of 18.5%.
Shinbee Oh, Kihyun Bae, Dahyun Jeong, Tan Ngoc‐Lan Phan, Jin‐Woo Lee, Bumjoon J. Kim   +5 more
wiley   +1 more source

Hybrid Functional DFTB Parametrizations for Modeling Organic Photovoltaic Systems. [PDF]

J Chem Theory Comput
Sun W, van der Heide T, Vuong VQ, Frauenheim T, Sentef MA, Aradi B, Lien-Medrano CR.   +6 more
europepmc   +1 more source

Atomic Size Misfit for Electrocatalytic Small Molecule Activation

Advanced Functional Materials, EarlyView.
This review explores the application and mechanisms of atomic size misfit in catalysis for small molecule activation, focusing on how structural defects and electronic properties can effectively lower the energy barriers of chemical bonds in molecules like H2O, CO2, and N2.
Ping Hong, Changfan Xu, Huaping Zhao, Yong Lei   +3 more
wiley   +1 more source

Defibrillation Threshold Testing After ICD Implantation in Patients with Chronic Kidney Disease. [PDF]

Cardiol Ther
Timal RJ, Osman L, Rotmans JI, Bootsma M, Mertens B, Schalij MJ, Rabelink TJ, Jukema JW.   +7 more
europepmc   +1 more source

DFT Calculations of Photoabsorption Spectra in the VUV Region for Design of Photoresist Materials for 157 nm Lithography.

, 2002
Shinji Ando, Tsuyohiko Fujigaya, Mitsuru Ueda   +2 more
openalex   +2 more sources

DFT calculations on the electronic structure of CuTe2 and Cu7Te4 [PDF]

, 2003
Samir F. Matar, Richard Weihrich, D. Kurowski, Arno Pfitzner   +3 more
openalex   +1 more source

Copper‐based Materials for Photo and Electrocatalytic Process: Advancing Renewable Energy and Environmental Applications

Advanced Functional Materials, EarlyView.
Cu‐based catalysts as a cornerstone in advancing sustainable energy technologies are fully reviewed in this manuscript, highlighting their potential in photo‐ and electrocatalysis. It includes metallic copper, copper oxides, copper sulfides, copper halide perovskites, copper‐based metal–organic frameworks (MOFs), and covalent organic frameworks (COFs),
Jéssica C. de Almeida, Yanjie Wang, Thais A. Rodrigues, Paulo H. H. Nunes, Vagner R. de Mendonça, Paulo H. E. Falsetti, Leticia V. Savazi, Tao He, Alexandra V. Bardakova, Aida V. Rudakova, Jie Tian, Alexei V. Emeline, Osmando F. Lopes, Antonio Otavio T. Patrocínio, Jia Hong Pan, Caue Ribeiro, Detlef W. Bahnemann   +16 more
wiley   +1 more source

Exploring Monomer-Amino Acid Interactions in Mimicking Mips for PSA Detection-Using the Novel MBASM Approach. [PDF]

J Comput Chem
Neres LCDS, Mucelini J, Pinheiro GA, Ambrósio HLBS, Silva ABFD, Sotomayor MDPT, Andriani KF.   +6 more
europepmc   +1 more source

The Spin–Spin Coupling Constants in Ethane, Methanol and Methylamine: A Comparison of DFT, MCSCF and CCSD Results [PDF]

, 2003
Magdalena Pecul, Trygve Helgaker
openalex   +1 more source

Thermodynamic and Kinetic Stability of Anthocyanidin: DFT and TD-DFT Calculation

INTERNATIONAL JOURNAL OF ADVANCED SCIENTIFIC AND TECHNICAL RESEARCH, 2018
Nobuaki Koga, Asmaa B. El-Meligy, Ahmed M. El-Nahas, Kumi Yoshida, Ahmed H. Mangood   +4 more
openaire   +1 more source