Results 201 to 210 of about 1,278,994 (301)

High‐Mobility Chalcogenophene‐Engineered Diketopyrrolopyrrole Mixed Ionic‐Electronic Conductors With Doping Tolerance for Low‐Power Organic Electrochemical Transistors

Advanced Materials, EarlyView.
Chalcogen substitution emerges as a powerful strategy for designing high‐performance OMIECs. In aliphatic–glycol side chain diketopyrrolopyrrole polymers, biselenophene incorporation promotes a planar, polarizable, and doping‐tolerant quinoidal framework, enabling PDPP‐4EG‐Se2 to combine high hole mobility, large µC*, enhanced operational stability ...
Shinbee Oh, Tae Hoon Kim, Dahyun Jeong, Ji Hwan Kim, Seungjin Lee, Tan Ngoc‐Lan Phan, Alexander Tipan‐Quishpe, Myung‐Han Yoon, Keehoon Kang, Bumjoon J. Kim   +9 more
wiley   +1 more source

Relative Interacting Atomic Energy Analysis of the Anomeric Effect in Cyclic and Acyclic O-C-X Systems. [PDF]

Molecules
Domingo LR, Ríos-Gutiérrez M, Pérez P.   +2 more
europepmc   +1 more source

Descriptor‐Informed Screening of Interface‐Active Molecules for Efficient Magnesium Metal Anodes

Advanced Materials, EarlyView.
A descriptor‐informed molecular screening strategy identifies 4‐bromo‐N, N‐dimethylaniline (BrNNA) as an interface‐active electrolyte component that enables fast Mg stripping/plating in Mg(TFSI)2‐based electrolytes. By simultaneously regulating Mg2+ solvation and interphase formation, the BrNNA‐containing electrolyte delivers activation‐free Mg ...
Hao Xu, Yue Li, Tian Xie, Arafat Hossain Khan, Fengzhan Sun, Zhao Li, Lingyue Liu, Zhaohui Yang, Xinlong Xie, Huayu Qiu, Quanquan Guo, Tian Sun, Xingyuan Chu, Jingwei Du, Jianxin Zou, Xinliang Feng, Minghao Yu   +16 more
wiley   +1 more source

A Unified Operator Resolution of Quadratic Bond Orders. [PDF]

J Phys Chem A
Szczepanik DW.
europepmc   +1 more source

Charge Storage and Dark Photocatalysis in Multivariate Ti‐Based Metal‐Organic Frameworks

Advanced Materials, EarlyView.
The mixed‐linker series of the titanium‐based metal–organic framework COK‐47 enables systematic tuning of photoresponsiveness and (dark) photocatalytic activity, deepening our understanding of structure‐property‐function relationships. Tailored metal‐to‐ligand charge transfer between the secondary building units (metal‐oxo layers and organic linkers ...
Julia E. Knapp, Bibhuti Bhusan Rath, Borja Ortín‐Rubio, Lukas Bauder, Kristina Gjorgjevikj, Saunak Das, Mariia Ferree, Frédéric Laquai, Lorenzo Tesi, Bettina Baumgartner, Simon Krause, Bettina V. Lotsch   +11 more
wiley   +1 more source

Construction of the reaction mechanism for O₃ oxidation desulfurization and denitrification based on the minimized reaction network method. [PDF]

RSC Adv
Yu H, Xia W, Yao L.
europepmc   +1 more source

Breaking Bottlenecks in Solid Electrolyte Discovery With Large Artificial Intelligence Models

Advanced Materials, EarlyView.
Large AI models are presented as a route to break key bottlenecks in solid electrolyte discovery by linking materials databases, machine‐learning interatomic potentials, large language models, and autonomous experiments. This perspective highlights how AI can accelerate the identification of solid electrolytes with fast ion transport, stable interfaces,
Eric Jianfeng Cheng, Min Hong, Zhiquan Zeng, Chuanyu Liu, Qian Wang, Melissa Jane Meadowcroft, Vlad Badilita, Carlos Miguel Costa, Senentxu Lanceros‐Méndez, Ying Li, Chenyao Ma, Weibo Gong, Surendra Kumar Martha, Aloysius Soon, Piao Ma, Di Zhang, Teguh Ariyanto, Sudaryanto, Hiroshi Kakinuma, Jie Zhao, Jiayu Peng, Pengfei Ou, Jun Lu, Shin‐ichi Orimo, Hao Li   +24 more
wiley   +1 more source

K₅Ir: reduced iridium stabilized at high pressure. [PDF]

Chem Sci
Fabini DH, Martyniak RI, Rosa AD, Chariton S, Riesel EA, Mijit E, Prakapenka VB, Freedman DE.   +7 more
europepmc   +1 more source

Atomic decomposition of molecular properties

, 2016
In this thesis, new methodology of computing properties aimed for multipleapplications is developed. We use quantum mechanics to compute propertiesof molecules, and having these properties as a basis, we set up equations basedon a classical reasoning.
openaire   +1 more source

Turning Nd‐Fe‐B Swarf Into High‐Value Bulk Feedstocks via Sustainable Hydrogen Plasma: From Rare‐Earth Oxides to Metals and Hydrides

Advanced Materials, EarlyView.
Oxidized Nd‐Fe‐B magnet swarf is transformed into valuable bulk feedstock through a single‐step hydrogen plasma process. The reaction converts complex rare‐earth‐containing waste into separated metallic, oxide, and hydride fractions without acid leaching.
Naritai Chimed, Oliver Diehl, Ömer K. Büyükuslu, J. Manoj Prabhakar, Dennis Klapproth, Patricia Jovičević‐Klug, Jürgen Gassmann, Dierk Raabe, Tim M. Schwarz, Matic Jovičević‐Klug   +9 more
wiley   +1 more source