Results 211 to 220 of about 2,318,291 (294)

Spectrally Tunable 2D Material‐Based Infrared Photodetectors for Intelligent Optoelectronics

Advanced Functional Materials, EarlyView.
Intelligent optoelectronics through spectral engineering of 2D material‐based infrared photodetectors. Abstract The evolution of intelligent optoelectronic systems is driven by artificial intelligence (AI). However, their practical realization hinges on the ability to dynamically capture and process optical signals across a broad infrared (IR) spectrum.
Junheon Ha, Yingshan Ma, Yong Nam An, Sung‐Un An, Hyeon Hak Jung, Suvi‐Tuuli Varjamo, Jiwon Yoo, Junho Min, Hanvit Kim, Faisal Ahmed, Sang Hoon Chae, Young Min Song, Weiwei Cai, Tawfique Hasan, Zhipei Sun, Dong‐Ho Kang, Hyeon‐Jin Shin, Yunyun Dai, Hoon Hahn Yoon   +18 more
wiley   +1 more source

PM6-ML: The Synergy of Semiempirical Quantum Chemistry and Machine Learning Transformed into a Practical Computational Method. [PDF]

J Chem Theory Comput
Nováček M, Řezáč J.
europepmc   +1 more source

Integrative Approaches for DNA Sequence‐Controlled Functional Materials

Advanced Functional Materials, EarlyView.
DNA is emerging as a programmable building block for functional materials with applications in biomimicry, biochemical, and mechanical information processing. The integration of simulations, experiments, and machine learning is explored as a means to bridge DNA sequences with macroscopic material properties, highlighting current advances and providing ...
Aaron Gadzekpo, Ewa Anna Oprzeska‐Zingrebe, Mariana Kozlowska, Lennart Hilbert, Iliya D. Stoev   +4 more
wiley   +1 more source

Quantum Chemistry-Based Prediction of Electron Ionization Mass Spectra for Environmental Chemicals. [PDF]

Anal Chem
Hecht H, Rojas WY, Ahmad Z, Křenek A, Klánová J, Price EJ.   +5 more
europepmc   +1 more source

Trap‐Modified Inverted Organic Photodetectors via Layer‐by‐Layer Processing with Poly(N‐vinylcarbazole) Additives

Advanced Functional Materials, EarlyView.
Trap state engineering in inverted organic photodetectors (OPDs) is achieved via combined layer‐by‐layer (LbL) processing and poly(N‐vinylcarbazole) (PVK) incorporation. LbL reduces the trap density while PVK additives gradually shift trap states from shallow band‐edge to deep mid‐gap levels, tailoring the energy distribution.
Jingwei Yi, Yi Yang, Yusen Pei, Apurva Gadikar, Vahid Mahdikhah, Myratgeldi Kotyrov, Seung Hyun Kim, Kenan Gundogdu, Wei You, Harald Ade, Franky So   +10 more
wiley   +1 more source

Unravelling the Glycan Code: Molecular Dynamics and Quantum Chemistry Reveal How O-Glycan Functional Groups Govern OgpA Selectivity in Mucin Degradation by Akkermansia muciniphila. [PDF]

Microb Biotechnol
Khavani M, Mehranfar A, Mofrad MRK.
europepmc   +1 more source

DNA‐Templated 2D Heterostructures as Phototriggered Dynamic Nanohybrids: From Releasing Molecular Loads to Controlling Enzyme Biocatalytic Function

Advanced Functional Materials, EarlyView.
DNA strands are employed both as dynamic linkers and nanoscale templates for the integration of Ag2S nanoparticles on MoS2, which in turn imparted photothermal responsiveness; this feature permits the selective cargo (fluorophore, quantum dots or an enzyme) release from the MoS2 surface in response to local heat induced by light irradiation.
Kai Chen, Haosen Miao, Weiying Hong, Matteo Palma   +3 more
wiley   +1 more source

Comparative Study of Isomeric TFSI and FPFSI Anions in Li-Ion Electrolytes Using Quantum Chemistry and Ab Initio Molecular Dynamics. [PDF]

J Phys Chem B
Kubisiak P, Narkevičius D, Nicotri C, Eilmes A.   +3 more
europepmc   +1 more source

Quantum Chemistry [PDF]

Nature, 1969
openaire   +1 more source