Results 241 to 250 of about 259,778 (317)

Designing Diaryl Sulfide Electronic Properties: A Comprehensive DFT Guide to HOMO-LUMO Gaps and Reactivity Descriptors. [PDF]

ACS Omega
da Silva RS.
europepmc   +1 more source

Ligand Engineering for Precise Control of Ultrathin CsPbI3 Nanoplatelet Superlattices for Efficient Light‐Emitting Diodes

Advanced Materials, EarlyView.
In this work, we introduce ancillary‐ligand‐mediated growth control of ultrathin CsPbI3 PeNPLs to achieve highly uniform thickness and reduced agglomeration. Strong ancillary‐ligand coordination to the perovskite surface regulates nucleation and improves surface passivation, enabling color‐pure emission and preferentially oriented superlattices.
Jongbeom Kim, Woo Hyeon Jeong, Junzhi Ye, Allison Nicole Arber, Vikram, Donghan Kim, Yi‐Teng Huang, Yixin Wang, Dongeun Kim, Dongryeol Lee, Chia‐Yu Chang, Xinyu Shen, Sung Yong Bae, Ashish Gaurav, Ye In Kim, Jinkyu Yang, Boseung Je, Changsoon Cho, Akshay Rao, Henry J. Snaith, M. Saiful Islam, Bo Ram Lee, Myoung Hoon Song, Robert L. Z. Hoye   +23 more
wiley   +1 more source

A Tutorial on Mechanistic Modeling of Nonstatistical Reactivity: Example of Light and Heat Effects in the Garratt-Braverman/[1,5]‑H Shift of Ene-diallenes. [PDF]

ACS Phys Chem Au
Rožić T, Hou Y, Northcote LK, Pedersen CM, Solomon GC.   +4 more
europepmc   +1 more source

Electrically Tunable Heliconical Smectic Superstructure in Polar Fluids

Advanced Materials, EarlyView.
Strong dipole–dipole interactions give rise to an emergent polar smectic phase with spontaneous chiral symmetry breaking. This resulting polar heliconical smectic superstructure enables novel functionalities in polar fluids, such as color modulation driven by electric field strength and frequency, as well as second‐harmonic generation amplification ...
Hiroya Nishikawa, Dennis Kwaria, Atsuko Nihonyanagi, Koki Sano, Hiroyuki Yoshida, Fumito Araoka   +5 more
wiley   +1 more source

Redox-protonation landscape of indene-annulated perylenes: chemodivergent switching of multistate NIR chromophores. [PDF]

Chem Sci
Wiencierz-Paś A, Moshniaha L, Chmielewski PJ, Lis T, Waliczek M, Kabe R, Stępień M.   +6 more
europepmc   +1 more source

Giant Anisotropy and High Second‐Order Nonlinearity of 3R‐MoS2 for Multifunctional Photonics

Advanced Materials, EarlyView.
Graphical abstract highlights, 3R‐polytype of MoS2 (3R‐MoS2) as a multifunctional photonic platform enabled by giant optical anisotropy and optical nonlinearities, demonstrating subdiffractional waveguiding, giant second‐harmonic (SH) generation, and high‐performance reflective polarization control.
Georgy Ermolaev, Dmitriy Grudinin, Liudmila Klimova, Adilet Toksumakov, Mikhail Gubin, Anton Minnekhanov, Aleksandr Slavich, Mikhail Mironov, Arslan Mazitov, Dmitry Yakubovsky, Nikolay Pak, Andrey Vyshnevyy, Ivan Kruglov, Gleb Tselikov, Alexei Prokhorov, Aleksey Arsenin, Kostya S. Novoselov, Valentyn Volkov   +17 more
wiley   +1 more source

DSKO: Dancing through DFTB Parametrization. [PDF]

J Chem Theory Comput
Samtsevych A, Song Y, van der Heide T, Aradi B, Hourahine B, Maurer RJ, Reuter K, Scheurer C, Panosetti C.   +8 more
europepmc   +1 more source

Effect of Exchange-Correlation Functionals on Schottky Barriers at Si/Metal Interfaces. [PDF]

J Phys Chem C Nanomater Interfaces
Dovale-Farelo V, Choudhary K.
europepmc   +1 more source