Results 171 to 180 of about 10,759 (309)

Beyond Descriptor‐Based AI Design: Sp2‐Hybridized Branched Side Chains Enable Pre‐Aggregation–Driven Seeding Effects in Green‐Solvent‐Processed Organic Solar Cells

Advanced Energy Materials, EarlyView.
sp2‐hybridized branched side chains are introduced as a new molecular design for NFAs, YBOV, inducing strong solution‐state pre‐aggregation. This pre‐aggregation enables universal seeding motifs, highly ordered film growth, and overcoming the intrinsic current–voltage trade‐off, achieving 19.67% efficiency via green‐solvent processing beyond descriptor‐
Seokhwan Jeong, Donghoo Won, Zhe Sun, Chihyung Lee, Jaewook Kim, Seunglok Lee, Sangjin Yang, Jieun Kim, Keonho Yoon, Dong Young Kim, Yongjoon Cho, Seung‐Jae Shin, Hee‐Seung Lee, Doo‐Hyun Ko, Changduk Yang   +14 more
wiley   +1 more source

Glycine‐Induced Unique Crystal Packing of Octacyanidetungstates With Strong Intermolecular Antiferromagnetic Interaction, Near‐Infrared Emission, and Second Harmonic Generation

Angewandte Chemie, EarlyView.
Glycine molecules induce a unique crystal packing into a supramolecular one‐dimensional columnar structure of octacyanidotungstates, which exhibits exceptionally strong antiferromagnetic superexchange interactions of J = −42.41(2) K between adjacent octacyanidotungstate units.
Tatsuya Konishi, Koji Nakabayashi, Kunal Kumar, Takeshi Suzuki, Kozo Okazaki, Masataka Kobayashi, Hidefumi Akiyama, Kouji Chiba, Shin‐ichi Ohkoshi   +8 more
wiley   +2 more sources

Nickel Coarsening and Mass Transfer Performance Prediction in Direct Internal Reforming Solid Oxide Fuel Cells. [PDF]

Nanomaterials (Basel)
Yang X, Yang G, Wang H, Sun H, Xu Z, Ji S.   +5 more
europepmc   +1 more source

Sputtering Mechanism of an Unsintered Organic–Inorganic Sputtering Target for Perovskite Solar Cells

Advanced Energy Materials, EarlyView.
An unsintered MAPbI3 sputtering target fabricated via a mechanochemical route enables large‐area vacuum deposition of perovskite absorber layers, while revealing an ion–photon coupled decomposition mechanism that governs target erosion and film composition under RF plasma exposure.
Doha Lim, Rira Kang, Yewon Lee, Hyun Hwi Lee, Mee‐Yi Ryu, Muntae Hwang, So‐Yeon Ju, Fang Luo, Byunghong Lee, Han‐Ki Kim   +9 more
wiley   +1 more source

Characterization of Mineral Dissolution in Fracture-Pore Type Rocks Using the Lattice Boltzmann Method. [PDF]

ACS Omega
Zhao Z, Zhang Y, Jiang Y, Wu Y, Qin N, He Y.   +5 more
europepmc   +1 more source

A new drag and lift correlation for spherocylinders from fully resolved Immersed Boundary Method

AIChE Journal, EarlyView.
Abstract Many industrial processes deal with non‐spherical particles, e.g., mineral mining and biomass conversion. It is crucial to understand the particles' hydrodynamics to control and optimize these processes. To extend the current state‐of‐the‐art from arrays of spherical particles to spherocylindrical particles, we performed extensive particle ...
A. H. Huijgen, Y. Sterkenburgh, Y. Tang, N. G. Deen, M. W. Baltussen   +4 more
wiley   +1 more source

Pore-Scale Wettability Alteration in Green Surfactant Flooding: A Lattice Boltzmann Study on Contact Angle Dynamics. [PDF]

ACS Omega
Liu R, Zhang C, Xia H, Ma W.
europepmc   +1 more source

A Comprehensive Assessment and Benchmark Study of Large Atomistic Foundation Models for Phonons

Advanced Intelligent Discovery, EarlyView.
We benchmark six large atomistic foundation models on 2429 crystalline materials for phonon transport properties. The rapid development of universal machine learning potentials (uMLPs) has enabled efficient, accurate predictions of diverse material properties across broad chemical spaces.
Md Zaibul Anam, Ogheneyoma Aghoghovbia, Mohammed Al‐Fahdi, Lingyu Kong, Victor Fung, Ming Hu   +5 more
wiley   +1 more source

Promising Thermoelectric Performance of Janus Monolayer ZrBrI. [PDF]

Materials (Basel)
Wang J, Jiao W, Li Z, Liu H.
europepmc   +1 more source

Interpretable Machine Learning for Solvent‐Dependent Carrier Mobility in Solution‐Processed Organic Thin Films

Advanced Intelligent Discovery, EarlyView.
This work establishes a correlation between solvent properties and the charge transport performance of solution‐processed organic thin films through interpretable machine learning. Strong dispersion interactions (δD), moderate hydrogen bonding (δH), closely matching and compatible with the solute (quadruple thiophene), and a small molar volume (MolVol)
Tianhao Tan, Lian Duan, Dong Wang
wiley   +1 more source