Atomic insights into the interaction of N 2, CO 2, NH 3, NO, and NO 2 gas molecules with Zn 2 (V, Nb, Ta) N 3 ternary nitride monolayers

AA Kistanov - Physical Chemistry Chemical Physics, 2024‏ - pubs.rsc.org
The search for promising carrier blocking layer materials with high stability, including
resistance to surface inhibition by environmental molecules that cause a drop in carrier …

Carrier transport in bulk and two-dimensional Zn 2 (V, Nb, Ta) N 3 ternary nitrides

IV Kosarev, AA Kistanov - Nanoscale, 2024‏ - pubs.rsc.org
Density functional theory-based simulations are applied to study the electronic structures,
carrier masses, carrier mobility and carrier relaxation times in bulk and two-dimensional (2D) …

Prediction of Zn2(V, Nb, Ta)N3 Monolayers for Optoelectronic Applications

AA Kistanov, SV Ustiuzhanina… - The Journal of …, 2023‏ - ACS Publications
A new family of ternary nitride materials, Zn2 (V, Nb, Ta) N3 monolayers, is predicted. A
fabrication mechanism of the Zn2 (V, Nb, Ta) N3 monolayers is proposed based on the …

Advancing high-throughput combinatorial aging studies of hybrid perovskite thin films via precise automated characterization methods and machine learning assisted …

A Wieczorek, AG Kuba, J Sommerhäuser… - Journal of Materials …, 2024‏ - pubs.rsc.org
To optimize material stability, automated high-throughput workflows are of increasing
interest. However, many of those workflows either employ synthesis techniques not suitable …

Deposition of highly crystalline AlScN thin films using synchronized high-power impulse magnetron sputtering: From combinatorial screening to piezoelectric devices

J Patidar, K Thorwarth, T Schmitz-Kempen… - Physical Review …, 2024‏ - APS
With the integration of 5G in day-to-day devices and the foreseeable 6G revolution, demand
for advanced radio frequency (RF) microelectromechanical systems (MEMS) is growing …

Deposition of highly-crystalline AlScN thin films using synchronized HiPIMS--from combinatorial screening to piezoelectric devices

J Patidar, K Thorwarth, T Schmitz-Kempen… - arxiv preprint arxiv …, 2024‏ - arxiv.org
Fueled by the 5G revolution, the demand for advanced radio frequency micro-
electromechanical systems (MEMS) based on AlScN is growing rapidly. However …

Penternary Wurtzitic Nitrides Li1–xZnxGe2–xGaxN3: Powder Synthesis, Crystal Structure, and Potentiality as a Solar-Active Photocatalyst

T Suehiro, M Tansho, A Iwanade, T Ishigaki… - Inorganic …, 2024‏ - ACS Publications
We developed a new penternary wurtzitic nitride system Li1–x Zn x Ge2–x Ga x N3 (0≤ x≤
1) by hybridizing LiGe2N3 and ZnGeGaN3. Fairly stoichiometric fine powder samples were …

Thin film synthesis, structural analysis, and magnetic properties of novel ternary transition metal nitride

S Dugu, RW Smaha, S Quadir, A Treglia, J Martin… - Physical Review …, 2024‏ - APS
Recent high-throughput computational searches have predicted many novel ternary nitride
compounds providing new opportunities for materials discovery in underexplored phase …

Density functional theory based characterization of point defects in two-dimensional Zn2 (V, Nb, Ta) N3 ternary nitrides

AA Kistanov - Computational Materials Science, 2025‏ - Elsevier
Structural defects, including mono-and double-vacancies, commonly presented at the
surface of two-dimensional materials (2D), including 2D ternary nitrides. These point defects …

Computationally-guided discovery and synthesis of the amorphous nitride Y2WN4

OV Pshyk, S Zhuk, J Patidar, A Wieczorek… - arxiv preprint arxiv …, 2024‏ - arxiv.org
Amorphous materials offer unique functional characteristics, which are often not observed in
their crystalline counterparts. This makes them invaluable for many technological …