Results 131 to 140 of about 1,445,170 (202)

Revealing the Critical Role of Global Electron Density Transfer in the Reaction Rate of Polar Organic Reactions within Molecular Electron Density Theory. [PDF]

Molecules
Domingo LR, Ríos-Gutiérrez M.
europepmc   +1 more source

Minuscule Amounts of Pt Single Atoms Selectively Loaded on Minor (101) Facet of Anatase Crystallites Enables Outstanding Utilization Efficiency for Photocatalytic H2 Production

Advanced Functional Materials, EarlyView.
Ar–H2 annealing triggers redistribution of pre‐deposited Pt single atoms (SAs) on faceted anatase nanosheets, with selective SAs accumulation on the minor (101) facetsthus the co‐catalytic SA‐sites are positioned only where they are needed, i.e. at the electron exit facets.
Shanshan Qin, Nikita Denisov, Benedict Osuagwu, Jan Kolařík, Bidyut Bikash Sarma, Zdeněk Baďura, Patrik Schmuki   +6 more
wiley   +1 more source

Novel spirooxindole-triazole derivatives: unveiling [3+2] cycloaddition reactivity through molecular electron density theory and investigating their potential cytotoxicity against HepG2 and MDA-MB-231 cell lines. [PDF]

Front Chem
Shawish I, Al Ayoubi S, El-Faham A, Aldalbahi A, El-Senduny FF, Badria FA, Ríos-Gutiérrez M, Hammud HH, Ashraf S, Ul-Haq Z, Barakat A.   +10 more
europepmc   +1 more source

The Role of Fluorine‐Functionalized Organic Spacers for Defect Passivation and Low‐Dimensional Phase Formation in 3D MAPI Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
Fluorine‐functionalized organic spacers (2F, 3F, 5F) are investigated to identify as optimal passivation agents for 3D MAPI perovskite solar cells (PSCs). The study highlights how altering fluorine positioning affects defect passivation, low‐dimensional phase (LDP) formation, and stability, emphasizing its role in molecular interactions and offering ...
Ali Semerci, Javier Urieta‐Mora, Sander Driessen, Ali Buyruk, Rik Hooijer, Agustín Molina‐Ontoria, Bülent Alkan, Seckin Akin, Mattia Fanetti, Harishankar Balakrishnan, Achim Hartschuh, Shuxia Tao, Nazario Martín, Peter Müller‐Buschbaum, Saim Emin, Tayebeh Ameri   +15 more
wiley   +1 more source

Over 18% Efficiency from Halogen‐Free Solvent‐Processed Polymer Solar Cells Enabled by Asymmetric Small Molecule Acceptors with Fluoro‐Thienyl Extended Terminal

Advanced Functional Materials, EarlyView.
An asymmetric non‐fullerene acceptor BTP‐FT is developed by extending the end group of Y6‐BO with thiophene. The conformation of the molecule is determined by the noncovalent F···S interaction as demonstrated by 2D NMR and simulations. An efficiency of 18.39% is achieved in the resulting ternary solar cells processed from toluene.
Jingnan Wu, Fengbo Sun, Xinxin Xia, Leandro R. Franco, Qiaonan Chen, Yúang Fu, Rafael B. Ribeiro, Xinhui Lu, C. Moyses Araujo, Xunchang Wang, Renqiang Yang, Xia Guo, Donghong Yu, Maojie Zhang, Ergang Wang   +14 more
wiley   +1 more source

Enhancing UV Stability and Charge Extraction in Organic Solar Cells with Phenyl‐Linked Aromatic Self‐Assembled Monolayer

Advanced Functional Materials, EarlyView.
The phenyl‐linked self‐assembled monolayer exhibits robust intrinsic stability and hole extraction capability compared to the alkyl‐linked counterparts, thus facilitating the device stability with T80 over 1000 h and efficiency of 19.7% in advancing organic solar cells.
Nan Zhang, Wenlin Jiang, Yidan An, Qi Liu, Gengxin Du, Tian Xia, Desui Chen, Chun‐To Wong, Xiao Cheng Zeng, Francis R. Lin, Alex K.‐Y. Jen, Hin‐Lap Yip   +11 more
wiley   +1 more source

Multifunctional Hydroxyapatite Coated with Gallium Liquid Metal‐Based Silver Nanoparticles for Infection Prevention and Bone Regeneration

Advanced Functional Materials, EarlyView.
A multifunctional hydroxyapatite (HAp) coating integrated with silver‐gallium liquid metal nanoparticles (HAp‐Ag‐GaNPs) exhibits dual antibacterial and osteogenic properties. It effectively inhibits Gram‐positive and Gram‐negative bacteria, including resistant strains, while enhancing bone regeneration.
Ngoc Huu Nguyen, Pengfei Zhang, Fathima Shana Pattar Kadavan, Zhaoning Xu, Tien Thanh Nguyen, Wenshao Li, Manh Tuong Nguyen, Chung Kim Nguyen, Duy Quang Pham, Thi Giang Tuyet Pham, Andrew Hayles, Markos Negash Alemie, Jitraporn Vongsvivut, Vincent Chan, Stephen Peter Kidd, Yunpeng Zhao, Krasimir Vasilev, Vi Khanh Truong   +17 more
wiley   +1 more source

Unique Performance Considerations for Printable Organic Semiconductor and Perovskite Radiation Detectors: Toward Consensus on Best Practice Evaluation

Advanced Functional Materials, EarlyView.
A lack of standard approaches for testing and reporting the performance of metal halide perovskites and organic semiconductor radiation detectors has resulted in inconsistent interpretation of performance parameters, impeding progress in the field. This Perspective recommends key metrics and experimental details, which are suggested for reporting in ...
Jessie A. Posar, Matthew Large, Andrea Ciavatti, Laura Basiricò, Beatrice Fraboni, Paul J. Sellin, Attila J. Mozer, Marco Petasecca, Matthew J. Griffith   +8 more
wiley   +1 more source

Photoswitchable Conductive Metal–Organic Frameworks

Advanced Functional Materials, EarlyView.
A conductive material where the conductivity can be modulated remotely by irradiation with light is presented. It is based on films of conductive metal–organic framework type Cu3(HHTP)2 with embedded photochromic molecules such as azobenzene, diarylethene, spiropyran, and hexaarylbiimidazole in the pores.
Yidong Liu, Mersad Mostaghimi, Abhinav Chandresh, Saibal Jana, Wolfgang Wenzel, Lars Heinke   +5 more
wiley   +1 more source

Oxygen Doping Enables Tailored Built‐In Electric Fields in FeOCl/g‐C3N4 Heterojunctions for Enhanced Peroxymonosulfate Activation

Advanced Functional Materials, EarlyView.
Oxygen‐doping modulated g‐C3N4 support enables a strong built‐in electric field (BIEF) in FeOCl‐OCN.This enhanced BIEF induces the rearrangement of Fe(II)/Fe(III) in FeOCl, which subtly improves intermediates adsorption and also reduces the energy barrier of *O production, thereby achieving efficient PMS activation with 1O2 and Fe(IV)= O as the primary
Ying Zeng, Hong Qin, Fuqi Wu, Jing Gao, Wenyang Li, Jiaqi Li, Shengyi Wu, Piao Xu, Cui Lai, Ziwei Wang   +9 more
wiley   +1 more source