Results 211 to 220 of about 4,874,213 (359)

Two‐Dimensional Materials as a Multiproperty Sensing Platform

Advanced Functional Materials, EarlyView.
Various sensing modalities enabled and/or enhanced by two‐dimensional (2D) materials are reviewed. The domains considered for sensing include: 1) optoelectronics, 2) quantum defects, 3) scanning probe microscopy, 4) nanomechanics, and 5) bio‐ and chemosensing.
Dipankar Jana, Shubhrasish Mukherjee, Dmitrii Litvinov, Magdalena Grzeszczyk, Sergey Grebenchuk, Makars Šiškins, Virgil Gavriliuc, Yihang Ouyang, Changyi Chen, Yuxuan Ye, Meng Yiming, Maciej Koperski   +11 more
wiley   +1 more source

Nonconventional Full-Color Luminescent Polyurethanes: Luminescence Mechanism at the Molecular Orbital Level. [PDF]

ACS Mater Lett
Jiang N, Meng YJ, Pu X, Zhu CY, Tan SH, Xu YH, Zhu YL, Xu JW, Bryce MR.   +8 more
europepmc   +1 more source

An ab initio Study on the Mechanical Stability, Spin-Dependent Electronic Properties, Molecular Orbital Predictions, and Optical Features of Antiperovskite A₃InN (A = Co, Ni). [PDF]

ACS Omega, 2022
Karim AMMT, Jubair M, Nuruzzaman M, Zilani MAK.   +3 more
europepmc   +1 more source

Frontier molecular orbitals, MEP, NBO, and vibrational spectra of Mesalamine: A first principle study from DFT and molecular docking approaches

Manoj Kumar Chaudhary, Sudip Pandey, Poonam Tandon   +2 more
openalex   +2 more sources

Review of: "(Nanocommunications) Using Acoustic Signals to Detect Molecular Activity ((interaction) or (Active Orbital)) of interest" [PDF]

Afshin Rashid
openalex   +1 more source

Dual‐Surface Reaction Enabled Organic–Inorganic Hybrid Photodiodes for Faint Light Detection and Imaging

Advanced Functional Materials, EarlyView.
This work proposes a dual‐surface reaction strategy to optimize the interfacial contacts in organic–inorganic photodetectors. 1,4,5,8,9,11‐hexaazatriphenylene hexacarbonitrile (HAT‐CN) and ytterbium layers are designed to react with the Si surface, thus minimizing noise.
Yibo Zhang, Gloria Vytas, Haozhe Wang, Dehui Zhang, Jiabao Shen, Chengliang Mao, Rajiv Prinja, Ali Javey, Zheng‐Hong Lu, Nazir P. Kherani   +9 more
wiley   +1 more source

Quantum chemical calculation dataset for representative protein folds by the fragment molecular orbital method. [PDF]

Sci Data
Takaya D, Ohno S, Miyagishi T, Tanaka S, Okuwaki K, Watanabe C, Kato K, Tian YS, Fukuzawa K.   +8 more
europepmc   +1 more source

Ligand binding: evaluating the contribution of the water molecules network using the Fragment Molecular Orbital method. [PDF]

J Comput Aided Mol Des, 2021
Lukac I, Wyatt PG, Gilbert IH, Zuccotto F.   +3 more
europepmc   +1 more source

Emergent Magnetic Structures at the 2D Limit of the Altermagnet MnTe

Advanced Functional Materials, EarlyView.
Renewed interest in MnTe has emerged due to its intriguing altermagnetism, a newly identified form of magnetism distinct from conventional ferro‐, antiferro‐, or paramagnetism. By combining magnetic X‐ray absorption spectroscopy, scanning tunnelling microscopy, and first‐principles theory, this study reveals that thinning MnTe to the 2D limit ...
Marc G. Cuxart, Roberto Robles, Beatriz Muñiz Cano, Pierluigi Gargiani, Clara Rebanal, Iolanda Di Bernardo, Alireza Amiri, Fabián Calleja, Manuela Garnica, Miguel A. Valbuena, Amadeo L. Vázquez de Parga   +10 more
wiley   +1 more source

Synergistic Antifungal Properties, Chemical Composition, and Frontier Molecular Orbital Analysis of Essential Oils from Lemongrass, Kaffir Lime, Lime, Dill, and Shatavari Against <i>Malassezia furfur</i>. [PDF]

Int J Mol Sci
Tadtong S, Chantavacharakorn R, Khayankan S, Akachaipaibul P, Eiamart W, Samee W.   +5 more
europepmc   +1 more source