Results 91 to 100 of about 154,338 (190)

ZnO Nanowires by Chemical Bath Deposition: A Review on Doping and Functional Devices

Electron, EarlyView.
This review reports the most recent and well‐established state‐of‐the‐art and scientific challenges related to the doping of ZnO nanowires by chemical bath deposition, encompassing native point and hydrogen‐related defects, as well as extrinsic dopants.
Clément Lausecker, Adrien Baillard, Estelle Appert, Vincent Consonni   +3 more
wiley   +1 more source

SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian with Size-Intensive Picture Change. [PDF]

J Chem Theory Comput
Surjuse KA, Valeev EF.
europepmc   +1 more source

DFT Insight Into Physical Properties of Halide Ions Replacements in Oxo‐Selenate Halide Compounds for Photovoltaic Application

Energy Science &Engineering, EarlyView.
Using density functional theory (CASTEP, GGA–PBE), the structural, electronic, optical, and mechanical properties of YSeO₃X (X = F, Cl, Br, and I) compounds are systematically investigated. The materials have exhibited structural stability, tunable band gaps, strong optical absorption, anisotropic ductile behavior, and promising potential for ...
Nawishta Jabeen, Ahmad Hussain, Ali Yaqoob, Omer Musa, Aseel Smerat, Joy Djuansjah   +5 more
wiley   +1 more source

Additivity and Chain Rules for Quantum Entropies via Multi-index Schatten Norms. [PDF]

Commun Math Phys
Fawzi O, Kochanowski J, Rouzé C, Van Himbeeck T.   +3 more
europepmc   +1 more source

A Review on Carbon‐Based and Metal‐Based Anode Materials of Microbial Fuel Cells

Energy Science &Engineering, EarlyView.
Reviews a wide range of anode materials used in microbial fuel cells (MFCs) and evaluates their performance and suitability for scalable energy recovery from wastewater. Defines the essential characteristics of an ideal anode, including high surface area, excellent electrical conductivity, strong biocompatibility, and cost‐effectiveness, while ...
Md. Hamidur Rahman, A. N. M. Mominul Islam Mukut   +1 more
wiley   +1 more source

ASH: A Multi-Scale, Multi-Theory Modeling Program. [PDF]

J Comput Chem
Bjornsson R.
europepmc   +1 more source

Programmable crack dynamics engineering enables flexible strain sensors with high linearity

FlexMat, EarlyView.
First‐decoupling theoretical framework of crack evolution elucidating the control methods, mechanistic insights, and structure‐activity relationships is established. Crack propagation from uncontrollable randomness systematically evolves into spatially ordered states.
Chunjin Wu, Shaolong Wang, Xu Wang, Heng Zhu, Yongliang Tian, Xinchen Jiang, Xin Rao, Yutong Han, Changrun Wang, Wen‐Yong Lai   +9 more
wiley   +1 more source

Quantum Shannon Information Theory-Design of Communication, Ciphers, and Sensors. [PDF]

Entropy (Basel)
Hirota O.
europepmc   +1 more source

Heteroatom location‐ and orientation mode‐dependent reverse intersystem crossing rate in multiple resonance emitters

FlexMat, EarlyView.
By constructing two pairs of isomers with different heteroatom anchoring positions, the relationship between heteroatom location and orientation mode and reverse intersystem crossing rate constant (kRISC) in multiple resonance (MR) emitters is systematically investigated.
Tingting Huang, Yincai Xu, Yupei Qu, Xinliang Cai, Jinbei Wei, Yue Wang   +5 more
wiley   +1 more source

Constrained shadow tomography for molecular simulation on quantum devices. [PDF]

Chem Sci
Avdic I, Wang Y, Rose M, Payne Torres LI, Schouten AO, Sung KJ, Mazziotti DA.   +6 more
europepmc   +1 more source