Adsorption and separation effects of typical metal nuclides on the WS2 surface: a DFT study (Englisch)
- Neue Suche nach: Chen, Haifei
- Neue Suche nach: Chen, Yawei
- Neue Suche nach: Cui, Yongsheng
- Neue Suche nach: Ren, Shaoyang
- Neue Suche nach: Chen, Xuan
- Neue Suche nach: Chen, Haifei
- Neue Suche nach: Chen, Yawei
- Neue Suche nach: Cui, Yongsheng
- Neue Suche nach: Ren, Shaoyang
- Neue Suche nach: Chen, Xuan
In:
Theoretical Chemistry Accounts
: Theory, Computation, and Modeling
;
143
, 4
;
2024
- Aufsatz (Zeitschrift) / Elektronische Ressource
-
Titel:Adsorption and separation effects of typical metal nuclides on the WS2 surface: a DFT study
-
Weitere Titelangaben:Theor Chem Acc
-
Beteiligte:Chen, Haifei ( Autor:in ) / Chen, Yawei ( Autor:in ) / Cui, Yongsheng ( Autor:in ) / Ren, Shaoyang ( Autor:in ) / Chen, Xuan ( Autor:in )
-
Erschienen in:Theoretical Chemistry Accounts : Theory, Computation, and Modeling ; 143, 4
-
Verlag:
- Neue Suche nach: Springer Berlin Heidelberg
-
Erscheinungsort:Berlin/Heidelberg
-
Erscheinungsdatum:01.04.2024
-
ISSN:
-
DOI:
-
Medientyp:Aufsatz (Zeitschrift)
-
Format:Elektronische Ressource
-
Sprache:Englisch
-
Schlagwörter:
-
Datenquelle:
Inhaltsverzeichnis – Band 143, Ausgabe 4
Zeige alle Jahrgänge und Ausgaben
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
-
Theoretical investigation on phosphorescent platinum complexes based on two tetradentate bipyridine ligandsMezouar, Hadj / Brahim, Houari / Boumediene, Mostefa / Yahia Cherif, Fatima / Hadji, Djebar / Guendouzi, Abdelkrim et al. | 2024
-
Adsorption and separation effects of typical metal nuclides on the WS2 surface: a DFT studyChen, Haifei / Chen, Yawei / Cui, Yongsheng / Ren, Shaoyang / Chen, Xuan et al. | 2024
-
Foreword to the special issue on the “Electronic structure: principles and applications (ESPA 2022)” conferenceRuiz-López, Manuel F. / Peña-Gallego, Angeles et al. | 2024
-
Redox properties of PbO2, IrO2 and SnO2 (110) surfaces with an adsorbed OH molecule: a chemical reactivity study in the grand canonical ensembleIslas-Vargas, Claudia / Guevara-García, Alfredo / Galván, Marcelo et al. | 2024
-
Exploring nonlinear optical properties of perylene diimide and biomolecules complexes: a computational supramolecular studyHussain, Wajid / Ali, Hafiz Saqib / Iqbal, Muhammad Shahid / Bashir, Muhammad Rashid / Khan, Maroof Ahmad / Hanif, Muhammad / Sandali, Yahya / Irfan, Ahmad / Li, Hui et al. | 2024
-
First-principles calculations on the structures and electronic properties of the TMW2On (TM = Mn–Ni, n = 1–6) clustersLi, Zhi / Wu, Zi-hao / Zhao, Zhen et al. | 2024
-
Formation of alkoxymethyl hydroperoxides and alkyl formates from simplest Criegee intermediate (CH2OO) + ROH (R=CH3, CH3CH2, and (CH3)2CH) reaction systemsDash, Manas Ranjan / Muthiah, Balaganesh / Mishra, Subhashree Subhadarsini et al. | 2024
-
Quenching of reactive species by Avenanthramides: theoretical insight to the thermodynamics of electron transferSumayya, P. C. / Muraleedharan, K. et al. | 2024
-
Reaction of [2-(3-hetaryl-1,2,4-triazol-5-yl)phenyl]amines with ketones: a density functional theory studyPylypenko, Olena O. / Sviatenko, Liudmyla K. / Shabelnyk, Kostyantin P. / Kovalenko, Sergiy I. / Okovytyy, Sergiy I. et al. | 2024
-
A topological analysis of the bonding interaction within the tri-nuclear heterometallic cluster [Mo–Ru–Co(µ3–S)(CO)8(Cp)COOCH3], (Cp = η5-C5H4)Al-Karaawi, Ali Abdulhasan Rasool / Al-Ibadi, Muhsen Abood Muhsen et al. | 2024
-
Isomerization pathway of a C–C sigma bond in a bis(octaazamacrocycle)dinickel(II) complex activated by deprotonation: a DFT studyJelemenska, Ingrid / Zalibera, Michal / Rapta, Peter / Dobrov, Anatoly A. / Arion, Vladimir B. / Bucinsky, Lukas et al. | 2024
-
Insights into the HO· and HOO· radical scavenging activity of aryl carbamate derivative: a computational mechanistic and kinetic investigationKaur, Chhinderpal / Mandal, Debasish et al. | 2024
-
Size-dependent optical properties of [6]-, [8]- and [10]Cycloparaphenylene dications: the role of degenerate statesKakarlamudi, Akhil Chakravarthy / Nag, Probal / Vennapusa, Sivaranjana Reddy et al. | 2024