Results 201 to 210 of about 1,053,365 (324)

Amido‐Amine Co(II) Precursor‐Based Atomic/Molecular Layer Deposition Processes for Cobalt‐Organic Thin Films and Their Thermal Conversion to CoO Thin Films

Advanced Materials Technologies, EarlyView.
Three new atomic/molecular layer deposition processes are developed for Co‐organic thin films using a promising all‐nitrogen‐coordinated cobalt precursor. The study examines film growth, reaction mechanisms, chemical stability, and decomposition pathways of the resulting films through extensive characterization techniques and DFT calculations ...
Topias Jussila, Jorit Obenlüneschloß, Ji Liu, Olga Partanen, Sami Vasala, Detlef Rogalla, Pieter Glatzel, Michael Nolan, Anjana Devi, Maarit Karppinen   +9 more
wiley   +1 more source

Performance of α‑, β- and γ‑GeSe Monolayers for Near-Field Radiative Heat Transfer: An Ab Initio Study. [PDF]

ACS Omega
Gusso A, Sánchez-Ochoa F, Esquivel-Sirvent R.   +2 more
europepmc   +1 more source

Terahertz Volume Plasmon‐Polariton Modulation in All‐Dielectric Hyperbolic Metamaterials

Advanced Optical Materials, EarlyView.
THz volume plasmon‐polariton (VPP) propagation through plasmon‐based hyperbolic metamaterials, made of alternating layers of doped and undoped III‐V semiconductors. Abstract The development of plasmonics and related applications in the terahertz range faces limitations due to the intrinsic high electron density of the standard metals.
Stefano Campanaro, Luca Bursi, Stefano Curtarolo, Arrigo Calzolari   +3 more
wiley   +1 more source

Elucidation of the Ro-Vibrational Band Structures in the Silicon Tetrafluoride Spectra from Accurate Ab Initio Calculations. [PDF]

Molecules
Egorov O, Rey M.
europepmc   +1 more source

Ultrabroadband Excitation of Hot Carriers in Plasmonic Nanorods Revealed by Two‐Dimensional Electronic Spectroscopy

Advanced Optical Materials, EarlyView.
This work dissects the ultrafast response of polydisperse plasmonic nanorods using two‐dimensional electronic spectroscopy, uniquely combining temporal and spectral resolution. Our ultrabroadband pulses cover both transverse and longitudinal nanorods’ resonances, revealing sub‐200‐fs dynamics and distinct broadening mechanisms.
Andrea Schirato, Mattia Russo, Luca Moretti, Alessandro Molinelli, Laura Polito, Filippo Rossi, Giulio Cerullo, Giuseppe Della Valle, Margherita Maiuri   +8 more
wiley   +1 more source

Ab initio machine-learning simulation of calcium carbonate from aqueous solutions to the solid state. [PDF]

Proc Natl Acad Sci U S A
Piaggi PM, Gale JD, Raiteri P.
europepmc   +1 more source

Incorporating Si into Sb2Se3: Tailoring Optical Phase Change Materials via Nanocomposites

Advanced Optical Materials, EarlyView.
We study the structural, optical, and thermal effects of adding silicon to Sb2Se3 and demonstrate that the as‐deposited solid solution phase segregates after electro‐thermal switching, creating a nanocomposite with effective‐medium properties and a phase‐change response.
Chih‐Yu Lee, Yi‐Siou Huang, Felix Adams, Chuanyu Lian, Hongyi Sun, Jie Zhao, Zichao Ye, Nathan Youngblood, Juejun Hu, Leslie H Allen, Yifei Mo, Ichiro Takeuchi, Carlos A Ríos Ocampo   +12 more
wiley   +1 more source

Ab-initio amino acid sequence design from protein text description with ProtDAT. [PDF]

Nat Commun
Guo XY, Li YF, Liu Y, Pan X, Shen HB.
europepmc   +1 more source

Designing High Performance Organic Donor Molecules for Photovoltaics

Advanced Theory and Simulations, EarlyView.
Systematically tuning the fusion pattern and length of the π$\pi$‐bridge, along with adjusting the electron‐withdrawing (EW) strength of the terminal groups in small‐molecule donor A-π-Core-π$\text{A-}\pi \text{-Core-}\pi$‐A architectures, enables predictable modulation of the system's opto‐electronic properties.
Fabian Bauch, Chuan‐Ding Dong, Stefan Schumacher   +2 more
wiley   +1 more source

Chemical Bonding in Monosubstituted Aromatic Molecules from Full-Valence Modern Ab Initio Valence Bond Calculations. [PDF]

J Phys Chem A
Barbosa AGH, Monteiro JGS.
europepmc   +1 more source