Understanding physical chemistry of Ba<sub><i>x<\/i><\/sub>Sr<sub>1−<i>x<\/i><\/sub>TiO<sub>3<\/sub> using ReaxFF molecular dynamics simulations
Physical Chemistry Chemical Physics, Vol. 23, Ekim 2021, ISSN: 1463-9076
AKBARİAN DOOMAN, NAYİR NADİRE, VAN DUİN ADRİ
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A ReaxFF Force Field for 2D-WS<sub>2<\/sub> and Its Interaction with Sapphire
The Journal of Physical Chemistry C, Vol. 125, Ağustos 2021, ISSN: 1932-7447
NAYİR NADİRE, SHİN YUN, WANG YUANXİ, ŞENGÜL MERT, HİCKEY DANİELLE, CHUBAROV MİKHAİL, CHOUDHURY TANUSHREE, ALEM NASİM, JOAN REDWİNG, CRESPİ VİNCENT, VAN DUİN ADRİ
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Development and Applications of ReaxFF Reactive Force Fields for Group-III Gas-Phase Precursors and Surface Reactions with Graphene in Metal\u2013Organic Chemical Vapor Deposition Synthesis
The Journal of Physical Chemistry C, Vol. 125, Ocak 2021, ISSN: 1932-7447
RAJABPOUR SİAVASH, MAO QİAN, NAYİR NADİRE, ROBİNSON JOSHUA, VAN DUİN ADRİ
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Computational modeling of 2D materials
TURKISH PHYSICAL SOCIETY 37TH INTERNATIONAL PHYSICS CONGRESS, Bodrum/TÜRKİYE, 1 Eylül 2021
NAYİR NADİRE, WANG YUANXİ, HİCKEY DANİELLE, Jİ YANZHOU, XUAN YUAN, CHOUDHURY TANUSHREE, JOAN REDWİNG, CHEN LONG QİNG, ALEM NASİM, CRESPİ VİNCENT, VAN DUİN ADRİ
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INDEEDopt: a deep learning-based ReaxFF parameterization framework
npj Computational Materials, Vol. 7, Mayıs 2021, ISSN: 2057-3960
SENGUL MERT, SONG YAO, NAYİR NADİRE, GAO YAWEİ, HUNG YİNG, DASGUPTA TİRTHANKAR, VAN DUİN ADRİ
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Role of Bilayer Graphene Microstructure on the Nucleation of WSe2 Overlayers
American Chemical Society (ACS), Vol. 17, Haziran 2023, ISSN: 1936-0851
BACHU SAİPHANEENDRA, KOWALİK MALGORZATA, HUET BENJAMİN, NAYİR NADİRE, DWİVEDİ SWARİT, HİCKEY DANİELLE, QİAN CHENHAO, SNYDER DAVİD W., ROTKİN SLAVA, REDWİNG JOAN, VAN DUİN ADRİ, ALEM NASİM
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Step engineering for nucleation and domain orientation control in WSe2 epitaxy on c-plane sapphire
Springer Science and Business Media LLC, Temmuz 2023, ISSN: 1748-3387
ZHU HAOYUE, NAYİR NADİRE, CHOUDHURY TANUSHREE, ANUSHKA BANSAL, HUET BENJAMİN, ZHANG KUNYANG, PURETZKY ALEXANDER A., BACHU SAİPHANEENDRA, YORK KRYSTAL, MC KNİGHT THOMAS V., TRAİNOR NİCHOLAS, OBEROİ AARYAN, WANG KE, DAS SAPTARSHİ, MAKİN ROBERT A., DURBİN STEVEN, HUANG SHENGXİ, ALEM NASİM, CRESPİ VİNCENT, VAN DUİN ADRİ, REDWİN JOAN
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Oxidation and hydrogenation of monolayer MoS2 with compositing agent under environmental exposure: The ReaxFF Mo/Ti/Au/O/S/H force field development and applications
Frontiers Media SA, Vol. 4, Ekim 2022, ISSN: 2673-3013
MAO QİAN, ZHANG YUWEİ, NAYİR NADİRE, KOWALİK MALGORZATA, VAN DUİN ADRİ, CHANDROSS MİCHAEL
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Modeling for Structural Engineering and Synthesis of Two-Dimensional WSe<sub>2<\/sub> Using a Newly Developed ReaxFF Reactive Force Field
The Journal of Physical Chemistry C, Vol. 124, Ocak 2020, ISSN: 1932-7447
NAYİR NADİRE, WANG YUANXİ, SHABNAM SHARMİN, HİCKEY DANİELLE, MİAO LEİXİN, ZHANG XİAOTİAN, BACHU SAİPHANEENDRA, ALEM NASİM, JOAN REDWİNG, CRESPİ VİNCENT, VAN DUİN ADRİ
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Development of a ReaxFF Reactive Force Field for Interstitial Oxygen in Germanium and Its Application to GeO<sub>2<\/sub>/Ge Interfaces
The Journal of Physical Chemistry C, Vol. 123, No. 2, Aralık 2018, s. 1208-1218, ISSN: 1932-7447
NAYİR NADİRE,VAN DUİN ADRİ,ERKOÇ ŞAKİR
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Atomic-scale probing of defect-assisted Ga intercalation through graphene using ReaxFF Molecular Dynamics Simulations
Carbon, Nisan 2022, ISSN: 0008-6223
NAYİR NADİRE, SENGUL MERT, COSTİNE ANNA, REİNKE PETRA, RAJABPOUR SİAVASH, BANSAL ANUSHKA, KOZHAKHMETOV AZİMKHAN, ROBİNSON JOSHUA, REDWİNG JOAN, VAN DUİN ADRİ
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Self-limiting stoichiometry in SnSe thin films
Royal Society of Chemistry (RSC), Vol. 15, Ocak 2023, ISSN: 2040-3364
CHİN JONATHAN R, FRYE MARSHALL B, LİU DERRİCK SHAO-HENG, HİLSE MARİA, GRAHAM IAN C, SHALLENBERGER JEFFREY, WANG KE, ENGEL-HERBERT ROMAN, WANG MENGYİ, SHİN YUN, NAYİR NADİRE, VAN DUİN ADRİ, GARTEN LAUREN M
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A Computational and Experimental Investigation of Platinum Vapor Deposition Reactions on Oxygen and Nitrogen Functionalized Carbon
AVS 68th International Symposium & Exhibition, 7 Kasım 2022
CAMPBELL IAN, NAYİR NADİRE, KUESPERT S., FİSCHHER A., VAN DUİN ADRİ, MOHNEY SUZANNE
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Theoretical modeling of edge-controlled growth kinetics and structural engineering of 2D-MoSe2
Materials Science and Engineering: B, Vol. 271, Eylül 2021, ISSN: 0921-5107
NAYİR NADİRE, WANG YUANXİ, Jİ YANZHOU, CHOUDHURY TANUSHREE, JOAN REDWİNG, CHEN LONG QİNG, CRESPİ VİNCENT, VAN DUİN ADRİ
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A New Computational Framework for Structural Characterization and Edge-Growth Kinetics of Transition Metal Dichalcogenides—Reaxff Reactive Force Field
2021 MRS Fall Meeting and Exhibit, Boston/AMERİKA BİRLEŞİK DEVLETLERİ, 30 Kasım 2021
NAYİR NADİRE, WANG YUANXİ, HİCKEY DANİELLE, Jİ YANZHOU, CHOUDHURY TANUSHREE, CHEN LONG QİNG, ALEM NASİM, JOAN REDWİNG, CRESPİ VİNCENT, VAN DUİN ADRİ
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Illuminating Invisible Grain Boundaries in Coalesced Single-Orientation WS<sub>2<\/sub> Monolayer Films
Nano Letters, Vol. 21, Temmuz 2021, ISSN: 1530-6984
HİCKEY DANİELLE, NAYİR NADİRE, CHUBAROV MİKHAİL, CHOUDHURY TANUSHREE, BACHU SAİPHANEENDRA, MİAO LEİXİN, WANG YUANXİ, QİAN CHENHAO, CRESPİ VİNCENT, JOAN REDWİNG, VAN DUİN ADRİ, ALEM NASİM
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Atomistic simulations of double layer graphene structure and its reactivity
APS March Meeting 2023, 5 Mart 2023
KOWALİK MALGORZATA, NAYİR NADİRE, BACHU SAİPHANEENDRA, DWİVEDİ SWARİT, ALEM NASİM, VAN DUİN ADRİ
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Development of the ReaxFF Reactive Force Field for Inherent Point Defects in the Si/Silica System
The Journal of Physical Chemistry A, Vol. 123, No. 19, Mayıs 2019, s. 4303-4313, ISSN: 1089-5639
NAYİR NADİRE,VAN DUİN ADRİ,ERKOÇ ŞAKİR
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Interactions of TMGa and NH3 with defects in graphene: Towards a mechanistic understanding of 2D GaNx formation
8th International Conference on Clean and Green Energy (ICCGE 2019, 13 Şubat 2019
BANSAL ANUSHKA, NAYİR NADİRE, RAJAPBOUR SİAVASH, HUET BENJAMİN, VAN DUİN ADRİ, JOAN REDWİNG
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Multi-scale modeling of gas-phase reactions in metal-organic chemical vapor deposition growth of WSe2
Journal of Crystal Growth, Vol. 527, Ocak 2019, ISSN: 0022-0248
XUAN YUAN, JAİN ABHİSHEK, ZAFAR SUHAİB, LOTFİ ROGAYYEH, NAYİR NADİRE, WANG YUANXİ, CHOUDHURY TANUSHREE, WRİGHT SAMUEL, FERACA JOHN, ROSENBAUM LEONARD, JOAN REDWİNG, CRESPİ VİNCENT, VAN DUİN ADRİ
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