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DFT calculation (keyword)
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1
journal article
Efficient defect-driven cation exchange beyond the nanoscale semiconductors toward antibacterial functionalization
Polivtseva, Svetlana
;
Volobujeva, Olga
;
Kuznietsov, Ivan
;
Kaupmees, Reelika
;
Danilson, Mati
;
Krustok, Jüri
;
Molaiyan, Palanivel
;
Hu, Tao
;
Lassi, Ulla
;
Klopov, Mihhail
;
van Gog, Heleen
;
van Huis, Marijn A.
;
Kaur, Harleen
;
Ivask, Angela
;
Rosenberg, Merilin
;
Gathergood, Nicholas
;
Ni, Chaoying
;
Grossberg-Kuusk, Maarja
ACS applied materials @ interfaces
2024
/
12 p
https://doi.org/10.1021/acsami.4c11425
journal article
2
journal article EST
/
journal article ENG
Solution-mediated inversion of SnSe to Sb2Se3 thin-films
Polivtseva, Svetlana
;
Kois, Julia
;
Kruzhilina, Tatiana
;
Kaupmees, Reelika
;
Klopov, Mihhail
;
Molaiyan, Palanivel
;
van Gog, Heleen
;
van Huis, Marijn A.
;
Volobujeva, Olga
Nanomaterials
2022
/
art. 2898
https://doi.org/10.3390/nano12172898
Journal metrics at Scopus
Article at Scopus
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Article at WOS
journal article EST
/
journal article ENG
Number of records 2, displaying
1 - 2
keyword
24
1.
DFT calculation
2.
density functional theory (DFT)
3.
DFT
4.
TD-DFT
5.
TD-DFT simulation
6.
time-dependent density functional theory (TD-DFT)
7.
advanced calculation
8.
back-calculation
9.
calculation of short-circuit currents
10.
calculation analysis
11.
calculation conditions and assumptions
12.
calculation method
13.
calculation methods
14.
calculation of costs
15.
dynamic calculation
16.
electromotive force (EMF) calculation
17.
energy calculation for air heating
18.
Failure Cost Calculation (FCC)
19.
fractional calculation
20.
nonlinear calculation
21.
non-linear calculation
22.
plate calculation
23.
simplified calculation tool
24.
sniper calculation
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