Results 181 to 190 of about 603,627 (298)

Temperature‐Robust Interphase Enables Carboxylate‐Ester Electrolyte for Stabilizing High‐Voltage Sodium Batteries

Advanced Functional Materials, EarlyView.
A synergistic electrolyte engineering strategy of employing ethyl acetate (EA) with vinylene carbonate (VC) as multifunctional additives is initially pioneered, making various as‐prepared high‐voltage wide‐temperature sodium batteries work well via the formation of a gradient and temperature‐robust interphase.
Huihua Li, Shuaijie Chang, Hongxu Qu, Jian Wang, Fanglin Wu, Minghua Chen, Huang Zhang   +6 more
wiley   +1 more source

Split Membrane: A New Model to Accelerate All-Atom MD Simulation of Phospholipid Bilayers. [PDF]

J Chem Inf Model
Hazrati MK, Sukeník L, Vácha R.
europepmc   +1 more source

Furan‐Substituted Phosphine‐Oxide as an Efficient Interfacial Modifier for Wide‐Bandgap Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
We report phosphine‐oxide interlayers for wide‐bandgap perovskite solar cells, in which tuned P = O Lewis basicity enables selective passivation of buried NiOx/perovskite interfaces and introduces interfacial dipoles that strengthen the built‐in field.
JeeHee Hong, Juan Anthony Prayogo, Soobin Heo, Jae Sung Yun, Dong Ryeol Whang, Dong Wook Chang, Hui Joon Park   +6 more
wiley   +1 more source

Synthesis, molecular docking, pharmacological evaluation, MD simulation, and DFT calculations of quinazolin-12-one derivatives as PDK1 inhibitors. [PDF]

Nanoscale Adv
Sadeghian Z, Bayat M, Gheidari D.
europepmc   +1 more source

Atomic Layer Deposition in Transistors and Monolithic 3D Integration

Advanced Functional Materials, EarlyView.
Transistors are fundamental building blocks of modern electronics. This review summarizes recent progress in atomic layer deposition (ALD) for the synthesis of two‐dimensional (2D) metal oxides and transition‐metal dichalcogenides (TMDCs), with particular emphasis on their enabling role in monolithic three‐dimensional (M3D) integration for next ...
Yue Liu, Taoyu Zou, Cheng‐Yan Xu, Liang Zhen, Yang Li, Yong‐Young Noh   +5 more
wiley   +1 more source

A combined in silico and MD simulation approach to discover novel LpxC inhibitors targeting multiple drug resistant Pseudomonas aeruginosa. [PDF]

Sci Rep
Alanazi A, Younas S, Khan MU, Saleem H, Alruwaili M, Abdalla AE, Mazhari BBZ, Abosalif K, Ejaz H.   +8 more
europepmc   +1 more source

Multi‐Functional ZnO–Te Heterojunction Devices Enabling Compact Frequency Quadrupler

Advanced Functional Materials, EarlyView.
Wafer‐scale ZnO–Te heterojunction devices featuring tunable double negative differential transconductance (D‐NDT) are demonstrated at ≤ 200°C. Leveraging this unique characteristic, a single‐stage frequency quadrupler is realized, achieving a 64%–75% reduction in device count.
Jae Hyeon Jun, Byeong Gwan Kim, Min Seo Kang, Ui Gwan Shin, Minjae Kim, Kiyung Kim, Hae‐Won Lee, Yongsu Lee, Byoung Hun Lee   +8 more
wiley   +1 more source

Drugs repurposed against morphine and heroin dependence: molecular docking, DFT, MM-GBSA-based MD simulation studies. [PDF]

In Silico Pharmacol
Malik JA, Wani MA, Dar MO, Garg P, Agrewala JN.   +4 more
europepmc   +1 more source

Giant Intrinsic Chirality Amplification of Aqueous Lead Halide Perovskite Nanocrystals via H‐Bond Driven Self‐Assembly Superstructures

Advanced Functional Materials, EarlyView.
Water‐assisted monoclinic CsPbBr3 transformation strategy is applied for synthesizing aqueous CsPbBr3/CsPb2Br5 nanocrystals with superior water‐repellent and excellent optical property. Low temperature enhanced hydrogen bonding network self‐assembled CsPbBr3/CsPb2Br5 nanocrystals into asymmetric superstructures, which exhibit notable circularly ...
Mei Huang, Pengfei Liu, Zhihong Zhang, Ruijing Fu, Kar Wei Ng, Qingguang Zeng, Bo Wang, Shuangpeng Wang   +7 more
wiley   +1 more source

Molecular Dynamics (MD) Simulation of GPR87-LPA Binding: Therapeutic Implications for Targeted Cancer Treatment. [PDF]

Anticancer Agents Med Chem
Rani M, Sharma AK, Nischal A, Khattri S, Sahoo GC, Singh RK.   +5 more
europepmc   +1 more source