Results 231 to 240 of about 7,310,138 (312)

A multifactorial DFT study of acceptor-tailored carbazole-based dyes with potential relevance to indoor DSSCs. [PDF]

RSC Adv
Saeed J, Hussain R, Haider MDS, Ahmad M, Hussain A, Ayub K, Alarfaji SS.   +6 more
europepmc   +1 more source

From Molecules to Manifolds: A Statistical Field-Theoretic Framework for Solubility Bridging Quantum Chemistry and Macroscopic Thermodynamics

Swapan Samanta
openalex   +1 more source

Deciphering the Photopolymerization‐Induced Nanostructures and Interface Formation for Submicrometer Additive Manufacturing

Advanced Functional Materials, EarlyView.
This work reveals the UV‐curing‐induced monomer‐rich domain, oligomer‐rich domain, and entangled oligomer domain. The cured submicron films in stressed state induce interlayer nano‐wrinkle structures during the deposition of the second layer. Stress‐free cured films in relaxed state form non‐diffusive, diffusive and semi‐diffusive interlayer ...
Shouzheng Chen, Yufeng Zhai, Jungui Zhou, Lixing Li, Simon Schraad, Guangjiu Pan, Xuehe Jiang, Sarathlal Koyiloth Vayalil, Rolf A. T. M. van Benthem, Julien R. G. Navarro, Johan F. G. A. Jansen, Mats K. G. Johansson, Peter Müller‐Buschbaum, Stephan V. Roth   +13 more
wiley   +1 more source

Toward resolving the RuO₂/IrO₂ oxygen evolution activity puzzle: critical roles of spin polarization and exchange-correlation functional accuracy. [PDF]

Chem Sci
Xie X, Wu J, Wang Z.
europepmc   +1 more source

Interview with ORCA Winner Xiao Cheng Zeng; UNL Chemistry; Computational/Theoretical; Nebraska Ice & Gold Nanocages [PDF]

Mark Griep, Xiao Cheng Zeng
openalex  

Effects of LLZO Microstructure Porosity, LLZO/Li‐Metal Interfacial Polarization Resistance, and Applied Areal Current Density on Li‐Metal Dendrite Formation in LLZO Bilayer Symmetric Cells

Advanced Functional Materials, EarlyView.
The effects of solid‐state electrolyte architecture and electrolyte/electrode interfacial polarization resistance on Critical Current Density and the risks for “interfacial” and “internal” Li‐metal dendrite formation were investigated in simulations of FIB‐reconstructed porous‐dense Li7La3Zr2O12 (LLZO) “bilayers”, providing insight for full cells ...
Tanner R. Hamann, Jon O'Neill, Eric D. Wachsman   +2 more
wiley   +1 more source

Concluding remarks: <i>Good</i> vibrations at interfaces as probed with spectroscopy.

Faraday Discuss
Weckhuysen BM.
europepmc   +1 more source

THEORETICAL AND SCIENTIFIC-METHODICAL BASES OF INTEGRATION OF SUSTAINABLE DEVELOPMENT GOALS IN HIGHER CHEMISTRY EDUCATION

Urazbayeva Gulnoza Zaxirovna, Ruzmetova Sevara Oktamboyevna   +1 more
openalex   +1 more source

Attitudes Towards Chemistry among Low and High Achieving 9th Grade Students in Laboratory Investigations and Theoretical Explanations [PDF]

Nabeh Al-Atawna, Elon Langbeheim
openalex   +1 more source

Amphoteric Cu‐Doping Leading to High Thermoelectric Performance in p‐Type Bismuth Antimony Telluride

Advanced Functional Materials, EarlyView.
This study shows that Cu plays two opposite roles in p‐type Bi0.5Sb1.5Te3 depending on the processing route. Under thermodynamic‐equilibrium bulk‐synthesis, Cu mainly occupies cation sites, increases hole concentration, preserves mobility, and slightly reduces lattice heat transport. The best‐performing composition among the investigated series reaches
Moritz Thiem, Zhiyuan Li, Minsu Heo, Fangyi Hu, Tian Lan, Youngdeog Koh, Ruiwen Xie, Chuanmu Tian, Marc Widenmeyer, Hyun‐Sik Kim, Jan P. Hofmann, Yuan Yu, Hongbin Zhang, Anke Weidenkaff, G. Jeffrey Snyder, Wenjie Xie   +15 more
wiley   +1 more source