Results 121 to 130 of about 89,778 (250)

Gold-Caged Metal Clusters with Large HOMO−LUMO Gap and High Electron Affinity

, 2016
We report a series of isoelectronic gold-caged metal clusters, M@Au14 (M = Zr, Hf), and anion clusters, M@Au14- (M = Sc, Y), all having a calculated HOMO−LUMO gap larger than the well-known tetrahedral cluster Au20the 3D metal cluster with a very large ...
Xiao Cheng Zeng (1273674), Satya Bulusu (1280157), Yi Gao (112914)   +2 more
core   +1 more source

Strengthened Interfacial Coupling Between Self‐Assembled Monolayers and Bulk Heterojunctions Enables Thermally Stable Organic Solar Cells

Advanced Materials, EarlyView.
Molecularly engineered self‐assembled monolayers (SAMs) featuring extended conjugated terminals facilitate superior interfacial coupling with the organic solar cell active layer. By physically anchoring the local morphology, this design suppresses thermal degradation, allowing devices to operate at 85°C for 150 h before degrading to 90% of their ...
Gengxin Du, Zhihong Wang, Songyang Yuan, Wenlin Jiang, Shanchao Ouyang, Chengda Ge, Tian Xia, Yiting Jiang, Nan Zhang, Yidan An, Lingyi Ke, Sai Wing Tsang, Francis R. Lin, Qian Li, Alex K.‐Y. Jen, Xuechen Jiao, Yong Zhang, Hin‐Lap Yip   +17 more
wiley   +1 more source

Enhanced Photocatalytic H2O2 Production on Terpyridine‐Based Acrylonitrile‐Linked Covalent Organic Frameworks with Asymmetric Localized Electron Distribution

Advanced Materials, EarlyView.
Asymmetric localized electron distribution has been optimized in covalent organic frameworks to enhance *O2 adsorption and facilitate charge transfer, boosting photocatalytic two‐electron transfer oxygen reduction toward H2O2 production from water and air.
Qinglan Zhao, Mengmeng Ce, Hengtao Lei, Tianyun Jin, Zhipeng Xie, Yushen Liu, Shengyi Yang, Xinwen Ou, Mohammad Farhadpour, Song‐Zhu Kure‐Chu, Xuan‐He Liu, Liang Zhang, Jimmy C. Yu   +12 more
wiley   +1 more source

Interface‐Engineered Binary Framework Composites: Advancing Porous Materials for Precision Medicine

Advanced Materials Interfaces, EarlyView.
Binary framework composites integrate two complementary porous architectures into a unified platform, enabling multifunctional design, enhanced structural tunability, and improved physicochemical performance. By combining high surface area, ordered porosity, interfacial synergy, and versatile functionalization, these hybrid materials offer new ...
Navid Rabiee, Mohammad Rabiee, Mohammad Akrami‐Hasan‐Kohal, Sidi A. Bencherif   +3 more
wiley   +1 more source

Facet‐Specific PbS Quantum Dot Passivation Using Halide Perovskites for SWIR Photodetectors

Advanced Materials Interfaces, EarlyView.
PbS quantum dots (QDs) are emerging as powerful short‐wave infrared photodetectors, yet the passivation mechanism of large QDs by perovskites ‐ critical for their stability ‐ remains unexplained. Here, we unveil the ligand structure of CH3NH3PbI3 (MAPI)‐passivated 4‐nm PbS QDs using FTIR, XPS, SEM, NMR, and DFT.
L. Paillardet, M. Gromova, D. Liu, A. S. Vasenko, O. V. Prezhdo, S. Alarab, G. De Paëpe, G. Lefevre, S. Charlot, O. Gourhant, B. Mortini, P. Reiss, J.‐M. Verilhac, D. Aldakov   +13 more
wiley   +1 more source

Kinetic Study of Reaction between Allyl Compounds of Mg and Ethylene: Computational Investigation [PDF]

Iranian Journal of Chemistry & Chemical Engineering, 2017
The reactions of propenyl magnesium halides with ethylene were studied using ab initio calculations. The structure of the transition state and the ground state were evaluated and obtained the structural properties, theoretical thermodynamic and kinetic ...
Elahe Rajaeian, Avat (Arman) Taherpour
doaj  

High‐Power Rapid Laser‐Induced Synthesis of Multi‐functional Cobalt Metal‐Organic Framework With an Unprecedented Synthesis Efficiency

Advanced Materials Technologies, EarlyView.
Laser‐assisted synthesis enables rapid (within 1 h) and high‐yield (≥90%) production of Co‐MOFs with mesoporous structures, tunable magnetic and optical properties, and efficient adsorption of N2, CH4, and CO2 for low‐energy gas separation. DFT calculations elucidate the electronic structure and adsorption behavior.
Saliha Mutlu, Bülend Ortaç, Ali Karatutlu, Taylan Gorkan, Engin Durgun, Dilek Soyler, Saniye Soylemez, Jelena Lillepäg, Volkan Filiz, Nergis Arsu, Sevil Savaskan Yilmaz   +10 more
wiley   +1 more source

BN- and B2N2-coronenes: Singlet and triplet state aromaticity, HOMO-LUMO and S0-T1 energy gap

BN/CC isosterism has emerged as a useful strategy for modulating chemical and physical properties of PAHs, which find applications in organic electronics.
Baranac-Stojanović, Marija
core   +1 more source

Suppression of HOMO–LUMO Transition in a Twist Form of Oligo(phenyleneethynylene) Clamped by a Right-Handed Helical Peptide

, 2016
A donor-π-acceptor (D-π-A) system of oligo(phenyleneethynylene) (OPE) was twisted by clamping both ends of the OPE with a right-handed helical peptide (SSA8=OPE). The induced twist in OPE was in a right-handed way. SSA8=OPE showed a weaker HOMO–LUMO band
Shunsaku Kimura (1408714), Hidenori Nakayama (2175844)   +1 more
core   +1 more source

Next‐Generation Water Treatment With Molybdenum Disulfide: Dual‐Functionality in Pollutant Adsorption and Photocatalysis

Advanced Materials Technologies, EarlyView.
ABSTRACT Molybdenum disulfide (MoS2) has attracted attention as a promising material due to the growing demand for environmentally friendly, cost‐effective, and efficient water treatment techniques. With its physicochemical characteristics, this stratified bidimensional material allows it to be highly effective in adsorption and catalytic performance ...
Pariksha Bishnoi, Gunjan Chauhan, Phil Hart, Samarjeet Singh Siwal, Vijay Kumar Thakur   +4 more
wiley   +1 more source