Results 191 to 200 of about 1,165,644 (258)

A Novel Implementation of CCSD Analytic Gradients Using Cholesky Decomposition of the Two-Electron Integrals and Abelian Point-Group Symmetry. [PDF]

J Phys Chem A
Melega L, Nottoli T, Gauss J, Lipparini F.   +3 more
europepmc   +1 more source

Robot Kinematics : A Computer Exercise in the Course 'Algebraic Methods for Systems Theory'

, 1994
openaire   +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 Review of Source-Term Estimation for Continuous Methane Monitoring: From Data Acquisition to Modeling and Estimation. [PDF]

ACS Omega
Xie Z, Tang J, Li R, Tian G, Ma R.
europepmc   +1 more source

Regionally Localized Electrolyte Engineering via UV Crosslinking for Stable Ether–Carbonate Lithium Metal Batteries

Advanced Functional Materials, EarlyView.
This work introduces a regionally localized electrolyte (RLE) that spatially separates ether‐ and carbonate‐based functions to stabilize both Li metal and high‐voltage cathodes. An immobilized ether‐rich layer directs Li+ transport, activates LiNO3 locally, and forms a uniform LiF‐rich SEI, enabling lower overpotential, uniform deposition, and long ...
Eunbin Lim, Jeanie Pearl Dizon Suba, Jaegu Cho, Sukeun Yoon, Kuk Young Cho   +4 more
wiley   +1 more source

A quantum-cognitive approach to dynamic meaning construction. [PDF]

Front Psychol
Yin M.
europepmc   +1 more source

Engineering Hydrogen‐Down Water Configurations for Ampere‐Level Electrochemical CO2 Reduction to Formate

Advanced Functional Materials, EarlyView.
Electrochemical CO2 reduction (ECR) to formate is a promising route for sustainable chemical production. Herein, we report the synthesis catalysed byBi‐HfO2@C. The AIMD simulations, DFT calculations, and in situ SEIRAS measurements show that the modification of HfO2 on the Bi surface steers the interfacial water to adopt a favorable hydrogen‐down (OH2↓)
Xiao‐Dong Guo, Shao‐Qing Liu, Jia‐Yi Wu, Qi‐Rui Wen, Xiaoxiao Wei, Shu‐Wen Wu, Xian‐Zhu Fu, Jing‐Li Luo   +7 more
wiley   +1 more source

DFTB Parametrization at the Example of Platinum-Implementation, Validation and Practical Considerations. [PDF]

J Comput Chem
Purtscher FRS, Penz A, Gallmetzer JM, Gamper J, Hofer TS.   +4 more
europepmc   +1 more source

X‐Functionality–Driven Photocatalytic Hydrogen Evolution in 2D 4‐X‐PEA2SnI4 Perovskites

Advanced Functional Materials, EarlyView.
We report a water‐based synthesis of 2D 4‐X‐PEA2SnI4 perovskite microcrystals with prominent photocatalytic (PC) activity for H2 production. The synergy between organic functionalization and HI‐derived iodide scavenges holes suppress octahedral distortion, and favor electron accumulation, enabling a PC H2 evolution ∼20 µmol·g−1 and long‐term stability ...
Taeyeon Kim, Gayoung Seo, Seong Yeon Park, Juwon Jang, Yunho Ahn, Samiksha Mukesh Jain, Samrat Das Adhikari, Harumi Correa‐Leiva, Ignacio Utreras‐Asenjo, Oscar A. Douglas‐Gallardo, Carina Pareja‐Rivera, Kayoung Cho, Byeongsung Kim, Jhonatan Rodriguez‐Pereira, Eunseo Choi, JaeHong Park, Jin Ho Bang, Danilo H. Jara‐Quinteros, Sixto Giménez, Seog Joon Yoon, Andrés F. Gualdrón‐Reyes, Iván Mora‐Seró   +21 more
wiley   +1 more source

An Unscented Kalman Filter Based on the Adams-Bashforth Method with Applications to the State Estimation of Osprey-Type Drones Composed of Tiltable Rotor Mechanisms. [PDF]

Sensors (Basel)
Watanabe K, Takeda S, Nagai I.
europepmc   +1 more source