Molecular dynamics simulation study of the transport of pairwise coupled ions confined in CSH gel nanopores
Ions that penetrate concrete micropores have a significant influence on concrete's
properties. Studying the microscopic interaction mechanisms between ions and concrete …
properties. Studying the microscopic interaction mechanisms between ions and concrete …
Graphene origami with enhanced impact resistance and energy absorption performance
The ancient art of origami has recently shown its potential in engineering intricate three-
dimensional graphene structures with unique properties. This study employs molecular …
dimensional graphene structures with unique properties. This study employs molecular …
XANES Studies of Zinc Tin Oxide Films Deposited by Atomic Layer Deposition: Revealing Process-Structure Relationships for Amorphous Oxide Semiconductors
Amorphous oxide semiconductors have grown in technological relevance in displays,
information technology, energy, and catalysis. Recent research efforts have converged on …
information technology, energy, and catalysis. Recent research efforts have converged on …
Molecular dynamics simulations of ion migration and adsorption on the surfaces of AFm hydrates
Chloride salts can cause severe corrosion damage to reinforcing steel bars in cement-based
materials whereas nitrite salts inhibit corrosion. The storage and release of these two anions …
materials whereas nitrite salts inhibit corrosion. The storage and release of these two anions …
Structural evolution of amorphous polymeric nitrogen from ab initio molecular dynamics simulations and evolutionary search
D Melicherová, O Kohulák, D Plašienka… - Physical Review …, 2018 - APS
Polymeric nitrogen with single bonds can be created from the molecular form at high
pressure and due to large energy difference between triple and single bonds it is interesting …
pressure and due to large energy difference between triple and single bonds it is interesting …
Electronic structure and transport in amorphous metal oxide and amorphous metal oxynitride semiconductors
Recently, amorphous oxide semiconductors have gained significant interest due to their low-
temperature processability, high mobility, and high areal uniformity for display backplanes …
temperature processability, high mobility, and high areal uniformity for display backplanes …
Accurate band alignment at the amorphous /p-Ge(100) interface determined by hard x-ray photoelectron spectroscopy and density functional theory
NF Quackenbush, E Cockayne, JM Ablett… - Physical Review …, 2018 - APS
We have investigated the band alignment at the interface of amorphous aluminum oxide (am-
Al 2 O 3) grown by atomic layer deposition on p-Ge (100) and the effects of postgrowth …
Al 2 O 3) grown by atomic layer deposition on p-Ge (100) and the effects of postgrowth …
Understanding electronic transport in multi-component amorphous semiconductors
J Srivastava, A Gaur - CSI Transactions on ICT, 2019 - Springer
Amorphous semiconductors are an important class of semiconductors due to their low
temperature deposition and high areal homogeneity over large areas which have been used …
temperature deposition and high areal homogeneity over large areas which have been used …
Structural evolution of amorphous polymeric nitrogen from\textit {ab initio} molecular dynamics simulations and evolutionary search
D Melicherová, O Kohulák, D Plašienka… - arXiv preprint arXiv …, 2018 - arxiv.org
Polymeric nitrogen with single bonds can be created from the molecular form at high
pressure and due to large energy difference between triple and single bonds it is interesting …
pressure and due to large energy difference between triple and single bonds it is interesting …