Results 201 to 210 of about 1,061,074 (328)

Novel temperature-based spectral topological indices for QSPR modeling of polyacenes in predicting physicochemical properties. [PDF]

Sci Rep
Hayat S, Alanazi SJF, Belay MB, Wang S.
europepmc   +1 more source

Operando Temperature Sensing at the Actual Electrocatalytic Interface by Nanodiamond Quantum Sensors

Advanced Functional Materials, EarlyView.
By integrating a wide‐field microscope with a custom‐designed electrolyzer, nanoscale temperature changes can be recorded in situ during the electrolysis process without interfering with ongoing electrochemical reactions. This method establishes a correlation between the interface temperature and specific electrochemical reactions, making the measured ...
Zan Li, Hui Wang, Mingzhong Ai, Yao Gao, Xinyi Feng, Junchen Ye, Ying Wang, Quan Li   +7 more
wiley   +1 more source

Quantitative structure activity relationship (QSAR) modeling for adsorption of organic compounds by activated carbon based on Freundlich adsorption isotherm. [PDF]

PLoS One
Ding S, Yang Y, Tan T, Wei Q, Shen Z, Liu Q, Song X, Wang Y, Nzila C, Chow CWK.   +9 more
europepmc   +1 more source

A new view on gold speciation in sulfur-bearing hydrothermal fluids from in situ X-ray absorption spectroscopy and quantum-chemical modeling

, 2009
G. Pokrovski, B. Tagirov, J. Schott, J. Hazemann, O. Proux   +4 more
semanticscholar   +1 more source

Intermixing‐Driven Growth of Highly Oriented Indium Phosphide on Black Phosphorus

Advanced Functional Materials, EarlyView.
This study demonstrates controlled intermixing and compound formation at the In/black phosphorus (BP) interface, leading to highly oriented InP formation. Comprehensive structural and electrical analyses reveal tunable bandgap behavior governed by competing BP thinning and charge‐transfer effects, underscoring the critical role of interfacial compound ...
Tae Keun Yun, Min Gyeong Shin, Uje Choi, Jieun Yeon, Jae Joon Kim, Yangjin Lee, Kwanpyo Kim   +6 more
wiley   +1 more source

ThermoPred: AI-Enhanced Quantum Chemistry Data Set and ML Toolkit for Thermochemical Properties of API-Like Compounds and Their Degradants. [PDF]

J Chem Inf Model
Santos DP, Dias-Silva JR, Júnior LHKQ, de Oliveira HCB.   +3 more
europepmc   +1 more source

Coexisting Rashba/Dresselhaus Spin Splitting in Solution‐Processed Bournonite Films Using Circular Photogalvanic Effect

Advanced Functional Materials, EarlyView.
Circular photogalvanic effect measurements and first‐principles calculations reveal spin‐splitting states in solution‐processed bournonite films (CuPbSbS3) due to structural and bulk inversion asymmetry. The results provide experimental confirmation of coexisting Rashba and Dresselhaus spin‐splitting states in this non‐centrosymmetric chalcogenide ...
Aeron McConnell, Sasa Wang, Andrew Grieder, Yuan Ping, David B. Mitzi, Dali Sun   +5 more
wiley   +1 more source

Evidence for hydroperoxide formation through atmospheric aqueous photochemistry of α-keto acids. [PDF]

Sci Adv
Pang H, Tilgner A, Han J, He JZ, Wang Y, Xu J, He B, Deng Q, Yan R, Ran Z, Wang X, Liu J, Adesina A, Carena L, Hoffmann EH, Schaefer T, Vione D, Herrmann H, Gligorovski S.   +18 more
europepmc   +1 more source

Electron–Matter Interactions During Electron Beam Nanopatterning

Advanced Functional Materials, EarlyView.
This article reviews the electron–matter interactions important to nanopatterning with electron beam lithography (EBL). Electron–matter interactions, including secondary electron generation routes, polymer radiolysis, and electron beam induced charging, are discussed.
Camila Faccini de Lima, Prathiba Thamizhavel, Taylor J. Woehl   +2 more
wiley   +1 more source

PEAS: An Application for Autonomous Precision Conformation Sampling. [PDF]

J Chem Inf Model
Keng M, Merz KM.
europepmc   +1 more source