Results 161 to 170 of about 1,954,300 (257)

Ninth Flyer 18_1_2008

, 2014
The quarterly newsletter, The Ninth Flyer, published by the Ninth Air Force Association, Inc.
9th Air Force Association
core  

Covalently Integrated Selenoviologen–N‐Heterocyclic Carbene–Pt Nanoparticles for Visible‐Light‐Driven Hydrogen Evolution

Advanced Science, EarlyView.
A covalently integrated single‐component photocatalyst is constructed by anchoring selenoviologen to platinum nanoparticles via robust N‐heterocyclic carbene ligands. The resulting Pt─C covalent bonds function dually as protective structural scaffolds and direct channels for ultrafast intramolecular electron transfer This precise interfacial ...
Wenxi He, Guoping Li, Chenjing Liu, Yu Liu, Yawen Li, Wenxin Wei, Hairui Lei, Ni Yan, Gang He   +8 more
wiley   +1 more source

Robust Photocatalytic Hydrogen Evolution Over a Conjugated Metal‐Organic Framework Heterojunction

Advanced Science, EarlyView.
We report a conjugated coordination polymer, Cd‐TMT (TMT = 1,3,5‐trimercaptotriazine), featuring an intrinsic molecular‐level charge transport network. The conjugated TMT ligands facilitate strong intra‐ligand charge transfer, while their ordered π‐π stacking along the [111] direction establishes a continuous pathway for directional electron migration,
Chunzhe Wang, Yufei Shan, Ruobing Chu, Lingzhi Yang, Zhanning Liu, Xiaoli Zhang, Jian Tian   +6 more
wiley   +1 more source

From GROMACS Molecular Dynamics Simulations to Electronic Absorption Spectra: A Tutorial for Small Molecules in Organic Solvents. [PDF]

J Chem Educ
Picarelli C, Raffaini G, Tommasini M.
europepmc   +1 more source

Anchor Engineering of Hole‐Selective Enamine‐Based Self‐Assembling Monolayers for Perovskite Solar Cells

Advanced Science, EarlyView.
This work presents novel enamine‐based self‐assembling monolayers with engineered anchoring groups as hole‐selective contacts for inverted perovskite solar cells. The conjugated molecular design suppresses interfacial defects, optimizes charge extraction, and prevents aggregation.
Deimante Krisiune, Yuxuan Yang, Yongde Xu, Hao Tian, Chuanxiao Xiao, Jianxing Xia, Mahan Saberi Zafarghandi, Ali Keshavarz Mohammadian, Negar Ashari Astani, Kasparas Rakstys, Yi Zhang, Vytautas Getautis   +11 more
wiley   +1 more source

Training a force field for proteins and small molecules from scratch. [PDF]

Chem Sci
Blanco-González A, Schulze TK, Rovers E, Greener JG.   +3 more
europepmc   +1 more source

Polymer‐Grafted Cu(II) Metal–Organic Polyhedra as Scalable, Melt‐Processable Porous Materials

Advanced Science, EarlyView.
The use of a direct synthetic route to obtain polymer‐grafted Cu(II)‐based metal–organic polyhedra gives rise to a low‐cost and scalable cage. This material combines low‐temperature melting, achieving phase changes while preserving cage integrity, and high CO2 uptake exceeding 0.6 mmol g−1.
Alba Cortés‐Martínez, Francisco Sánchez‐Férez, José A. Suárez del Pino, Sergio Royuela, Félix Zamora, Daniel Maspoch, Arnau Carné‐Sánchez   +6 more
wiley   +1 more source

Charge Transfer Interactions in Quantum Mechanics and in Classical Force Fields. [PDF]

J Phys Chem B
Cieplak P, Luo R, Duan Y.
europepmc   +1 more source

Polybromides Attraction‐Repulsion Regulation Promotes High‐Performance Zinc–Bromine Static Battery

Advanced Science, EarlyView.
Br3− attraction‐repulsion regulation enhances the reversibility and reaction kinetics of Zn–Br static batteries. Coin cell shows a high average discharge voltage of 1.73 V and a fast charge/discharge rate up to 32 mA cm−2. Pouch cell with a high areal capacity of 8.3 mAh cm−2 achieves a real capacity of 365 mAh after 100 cycles.
Jiamin Tang, Ling He, Lei Liu, Huanwei Li, Haichuan He, Jie Wang, Zhengxin Zhu   +6 more
wiley   +1 more source

How Long Is Long Enough? Extrapolation of Machine-Learning Interatomic Potentials for Oligomeric and Polymeric Systems. [PDF]

J Chem Theory Comput
Hooven NE, Lin AY, Carroll CH, Cersonsky RK.   +3 more
europepmc   +1 more source