Results 141 to 150 of about 320,805 (264)

Molecular simulation study on competitive adsorption mechanism of gas power generation tail gas in coal micropore structure. [PDF]

Sci Rep
Huang G, Zhu Z, Dai F, Zhang X, Bai G, Zhang Y.   +5 more
europepmc   +1 more source

Polymer Interface Enables Reversible Quasi‐Solid Sulfur Conversion in Sodium‐Sulfur Batteries

Advanced Functional Materials, EarlyView.
The polymer interface enables a stable quasi‐solid sulfur conversion pathway in room‐temperature Na─S batteries. The coating regulates Na+ transport, stabilizes the cathode–electrolyte interphase, and accommodates mechanical stress, suppressing electrolyte decomposition and sulfur migration, thereby improving reaction uniformity, reducing polarization,
Reza Andaveh, Ying Zhao, Enzhong Jin, Zixin Zhang, Vinicius Martins, Parham Pirayesh, Yi Gan, Yi Yuan, Yijia Wang, Frederick Benjamin Holness, Changhong Cao, Jun Song, Yang Zhao   +12 more
wiley   +1 more source

Influence of Coal Petrology Characteristics on the Organic Matter Adsorption Properties: A Molecular Simulation Perspective. [PDF]

Int J Mol Sci
Lu Q, Wang W, Bo P, Zhu B, Shao F.
europepmc   +1 more source

Rationally Designed Bilayer Passivation Strategy for High‐Performance Vacuum‐Processed Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
A bilayer “Anchor‐and‐Seal” passivation strategy using EDAI2 and 4MeO‐PEAI effectively mitigates surface defects in vacuum‐processed perovskite films through synergistic hydrogen bonding and Lewis base coordination. This approach optimizes interfacial energy alignment and suppresses non‐radiative recombination, enabling vacuum‐deposited p‐i‐n ...
Mohammadhossein Kohan, Sang‐Heon Lee, Jaswinder Singh, Sung‐Nam Kwon, Seok‐In Na   +4 more
wiley   +1 more source

Molecular Simulation Study of CO₂ Adsorption and Sequestration on Clay Minerals under Geological Conditions. [PDF]

ACS Omega
Zheng Y, Li M, Liu X, Zhang S, Xiao H, Shi F, Dong S.   +6 more
europepmc   +1 more source

Solution‐Processed Two‐Dimensional Indium Oxide on Sodium‐Embedded Alumina for Reconfigurable Optoelectronic Synaptic Transistors

Advanced Functional Materials, EarlyView.
Wafer‐scale two‐dimensioanl In2Se3 oxidized into InOx on sodium‐embedded beta‐alumina enables multifunctional reconfigurable electronics. Sodium ions accumulate within distinct spatial distribution under drain‐controlle and gate‐controlled operation. Drain‐control operation gives controllability of ultraviolet‐driven optoelectronic synaptic conductance
Jinhong Min, Yonghyun Albert Kwon, Hyunbin Kim, Jihyun Kim, Myeongjin Jung, Jaewon Heo, Gwang Ya Kim, Vlastimil Mazanek, Zdeněk Sofer, In Soo Kim, Jeong Ho Cho, Hyesung Park, Sang Min Won, Joohoon Kang   +13 more
wiley   +1 more source

Orbital Geometry‐Governed Response of Pressure‐Tunable Quantum Defects in hBN

Advanced Functional Materials, EarlyView.
Defects in hBN act as ultrasensitive quantum manometers when the energy of the intradefect optical transitions is modified by lattice compression. The orbital geometry of the electron wave functions governs how electron hopping and Coulomb interactions react uniquely to the reduction of the van der Waals gap and in‐plane compression, leading to robust ...
Magdalena Grzeszczyk, Danis I. Badrtdinov, Kenji Watanabe, Takashi Taniguchi, Cyrus E. Dreyer, Malte Rösner, Maciej Koperski   +6 more
wiley   +1 more source

High Stability, Piezoelectric Response, and Promising Photocatalytic Activity on the New Pentagonal CGeP4 Monolayer

ACS Physical Chemistry Au
José A. S. Laranjeira, Nicolas Martins, Pablo A. Denis, Julio Sambrano   +3 more
doaj   +1 more source

Quantifying Membrane Structure and Dynamics during Bioproduct Production in <i>Zymomonas mobilis</i> by Molecular Simulation. [PDF]

J Phys Chem B
Singh NK, Vermaas JV.
europepmc   +1 more source

Historical Foundation and Practical Guideline for Ferroelectric Switching Kinetic Studies

Advanced Functional Materials, EarlyView.
The P and U pulses in the conventional PUND measurements are not identical because of the interplay between switching current and the measurement circuit components. This circuit effect can lead to a shift in polarization transients and misinterpreted physics in the switching kinetics.
Yi Liang, Pat Kezer, John T. Heron
wiley   +1 more source