Results 131 to 140 of about 321,840 (265)

Too Many Materials and Too Many Applications: An Experimental Problem Waiting for a Computational Solution

ACS Central Science, 2020
Daniele Ongari, Leopold Talirz, Berend Smit   +2 more
doaj   +1 more source

Molecular simulation of pore size effect on CH₄ adsorption characteristics in anthracite. [PDF]

Sci Rep
Bai Y, Yang L, Hu B, Long H, Zhang Y, Li A, Geng B.   +6 more
europepmc   +1 more source

Optical Signature of Moiré Superlattices Formed by Twisted SrTiO3 Membranes

Advanced Functional Materials, EarlyView.
We discover optical signatures from bonded interfaces in twisted SrTiO3 moiré superlattices, including low‐frequency Raman vibrational modes and strong second‐harmonic generation, consistent with strong interlayer coupling inferred from cross‐sectional electron microscopy and ab initio calculations. ABSTRACT Moiré superlattices formed at the interfaces
T. A. M. Ragib Shahriar, Fumikazu Murakami, Xing He, Konnor Koons, Xinyan Li, Bumseop Kim, Shihan Qin, Varun Harbola, Jochen Mannhart, Yimo Han, Ruijuan Xu, Shengxi Huang, Andrew M. Rappe, Hanyu Zhu   +13 more
wiley   +1 more source

Does Electrode Spacing Truly Control Capacitance and Energy Density in Graphene-Based Supercapacitors? A Molecular Simulation Perspective. [PDF]

ACS Omega
Guedes DO, de Araujo Chagas H, Voroshylova IV, Colherinhas G.   +3 more
europepmc   +1 more source

Molecular simulations [PDF]

Current Biology, 1998
openaire   +1 more source

Embedded Ferroelectric Nanoclusters Can Drive Polarization Reversal in a Non‐Ferroelectric Polar Film via the Proximity Effect

Advanced Functional Materials, EarlyView.
Ferroelectric nanoclusters create local internal fields in a normally non‐switchable polar film because of polarization mismatch at their interfaces. That field opposes polarization in the regions with larger polarization and reinforces polarization in the regions with smaller polarization.
Anna N. Morozovska, Eugene A. Eliseev, Sergei V. Kalinin, Long‐Qing Chen, Dean R. Evans, Venkatraman Gopalan   +5 more
wiley   +1 more source

Molecular Simulation of the Adsorption Separation of Acidic Natural Gas Contaminants with Zeolites. [PDF]

Nanomaterials (Basel)
Kristóf T, Fodor L.
europepmc   +1 more source

Single‐Step Recovery of Water from Stable Crude Oil‐Water Emulsion Using Surface Engineered Hybrid Inorganic‐Polymer Membranes

Advanced Functional Materials, EarlyView.
Atomic layer deposition is used to conformally surface engineer polymeric membranes to fabricate inorganic–organic hybrid membranes. These membranes have exceptionally strong attraction toward water even in high oil containing emulsions, which leads to an extremely strong hydration layer at the interface.
Bratin Sengupta, Yining Liu, Gaurab Sarkar, Rouke Cai, Katrina Sparks, Chi Thang Nguyen, Tamar Segal‐Peretz, Seth B. Darling, Jeffrey W. Elam   +8 more
wiley   +1 more source

Molecular Simulation Study of Water-Rock Interfaces During Supercritical CO₂ Sequestration. [PDF]

Molecules
Yan Y, Fan Y, Zhang P.
europepmc   +1 more source

From Photoalignment to Structured Light: Liquid Crystal Platforms for Beam Shaping and Complex Wavefronts

Advanced Functional Materials, EarlyView.
Photoaligned and photopatterned liquid crystal platforms provide programmable control of optical phase, polarization, and spin‐orbit interactions, enabling compact generation of structured light and complex wavefronts. This review highlights how tailored molecular orientations transform simple beams into designed optical fields, opening versatile ...
Le Zhou, Tingjun Zhong, Sijie Liu, Pouya Nosratkhah, Ke Xu, Yuzhen Zhao, Kristiaan Neyts   +6 more
wiley   +1 more source