Adri C T van Duin (Adri van Duin)

ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 72

Top Venues

The journal of physical chemistry. A

ACS applied materials & interfaces

The journal of physical chemistry letters

Journal of chemical theory and computation

Pennsylvania State University

Technische Universiteit Delft (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Pennsylvania State University Sep 01 2008

United States

Faculty :: Mechanical Engineering

Education History

Technische Universiteit Delft Sep 01 1992 - Apr 01 1997

Netherlands

PHD :: Chemistry

Publications

Ga-Un Jeong, Adri C T van Duin, Yuan Xuan
Exploring Gas-Phase Chemical Reactions in NH 3 /B 2 H 6 Systems for Chemical Vapor Deposition Using Reactive Molecular Dynamics. The journal of physical chemistry. A (2024)
Mahdi Khajeh Talkhoncheh, Yun Kyung Shin, Junseok Kim, Omid Jahanmahin, Kristen A Fichthorn, Adri C T van Duin
Development of a ReaxFF Reactive Force Field for Pt/Cl Systems with Application to Platinum Metal Etching with Chlorine and Hydrogen Chloride Gases. The journal of physical chemistry. A (2024)
Ga-Un Jeong, Adri C T van Duin, Yuan Xuan
Exploring Gas-Phase Chemical Reactions in NH 3 /B 2 H 6 Systems for Chemical Vapor Deposition Using Reactive Molecular Dynamics. The journal of physical chemistry. A 128 (13) (2024)
Tao Wang, Yawei Gao, Bo Chen, Vincent H Crespi, Adri C T van Duin
Prediction of a Novel Electromechanical Response in Polar Polymers with Rigid Backbones: Contrasting Furan-Derived Nanothreads to Poly(Vinylidene Fluoride). Nano letters 24 (30) (2024)
Tao Wang, Yawei Gao, Bo Chen, Vincent H Crespi, Adri C T van Duin
Prediction of a Novel Electromechanical Response in Polar Polymers with Rigid Backbones: Contrasting Furan-Derived Nanothreads to Poly(Vinylidene Fluoride). Nano letters (2024)
Mike Pols, Adri C T van Duin, Sofía Calero, Shuxia Tao
Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (9) (2024)
Matthew G Boebinger, Dundar E Yilmaz, Ayana Ghosh, Sudhajit Misra, Tyler S Mathis, Sergei V Kalinin, Stephen Jesse, Yury Gogotsi, Adri C T van Duin, Raymond R Unocic
Direct Fabrication of Atomically Defined Pores in MXenes Using Feedback-Driven STEM. Small methods (2024)
Masoom Shaban, Nina Merkert, Adri C T van Duin, Diana van Duin, Alfred P Weber
Advancing DBD Plasma Chemistry: Insights into Reactive Nitrogen Species such as NO 2 , N 2 O 5 , and N 2 O Optimization and Species Reactivity through Experiments and MD Simulations. Environmental science & technology (2024)
Mike Pols, Adri C T van Duin, Sofía Calero, Shuxia Tao
Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (9) (2024)
Jordan J Winetrout, Krishan Kanhaiya, Joshua Kemppainen, Pieter J In 't Veld, Geeta Sachdeva, Ravindra Pandey, Behzad Damirchi, Adri C T van Duin, Gregory M Odegard, Hendrik Heinz
Implementing reactivity in molecular dynamics simulations with harmonic force fields. Nature communications 15 (1) (2024)
Waqar Ahmad, Paramita Koley, Swarit Dwivedi, Rajan Lakshman, Yun Kyung Shin, Adri C T van Duin, Abhijit Shrotri, Akshat Tanksale
Aqueous phase conversion of CO 2 into acetic acid over thermally transformed MIL-88B catalyst. Nature communications 14 (1) (2023)
Efstratios M Kritikos, Aditya Dilip Lele, Adri C T van Duin, Andrea Giusti
Atomistic insight into the effects of electrostatic fields on hydrocarbon reaction kinetics. The Journal of chemical physics 158 (5) (2023)
Jonathan R Chin, Marshall B Frye, Derrick Shao-Heng Liu, Maria Hilse, Ian C Graham, Jeffrey Shallenberger, Ke Wang, Roman Engel-Herbert, Mengyi Wang, Yun Kyung Shin, Nadire Nayir, Adri C T van Duin, Lauren M Garten
Self-limiting stoichiometry in SnSe thin films. Nanoscale (2023)
Liwen Zhang, Małgorzata Kowalik, Qian Mao, Behzad Damirchi, Yongyi Zhang, Philip D Bradford, Qing-Wen Li, Adri C T van Duin, Yuntian T Zhu
Joint Theoretical and Experimental Study of Stress Graphitization in Aligned Carbon Nanotube/Carbon Matrix Composites. ACS applied materials & interfaces (2023)
Leon C Thijs, Efstratios M Kritikos, Andrea Giusti, Marie-Aline van Ende, Adri C T van Duin, XiaoCheng Mi
Effect of Fe-O ReaxFF on Liquid Iron Oxide Properties Derived from Reactive Molecular Dynamics. The journal of physical chemistry. A (2023)
Falk Niefind, Qian Mao, Nadire Nayir, Malgorzata Kowalik, Jung-Joon Ahn, Andrew J Winchester, Chengye Dong, Rinu Abraham Maniyara, Joshua A Robinson, Adri C T van Duin, Sujitra Pookpanratana
Watching (De)Intercalation of 2D Metals in Epitaxial Graphene: Insight into the Role of Defects. Small (Weinheim an der Bergstrasse, Germany) (2023)
Wan-Yu Tsai, Shelby B Pillai, Karthik Ganeshan, Saeed Saeed, Yawei Gao, Adri C T van Duin, Veronica Augustyn, Nina Balke Wisinger
Effect of Electrode/Electrolyte Coupling on Birnessite (δ-MnO 2 ) Mechanical Response and Degradation. ACS applied materials & interfaces 15 (21) (2023)
Waqar Ahmad, Paramita Koley, Swarit Dwivedi, Rajan Lakshman, Yun Kyung Shin, Adri C T van Duin, Abhijit Shrotri, Akshat Tanksale
Aqueous phase conversion of CO 2 into acetic acid over thermally transformed MIL-88B catalyst. Nature communications 14 (1) (2023)
Saiphaneendra Bachu, Malgorzata Kowalik, Benjamin Huet, Nadire Nayir, Swarit Dwivedi, Danielle Reifsnyder Hickey, Chenhao Qian, David W Snyder, Slava V Rotkin, Joan Marie Redwing, Adri C T van Duin, Nasim Alem
Role of Bilayer Graphene Microstructure on the Nucleation of WSe 2 Overlayers. ACS nano (2023)
Josh Kemppainen, Ivan Gallegos, Aaron S Krieg, Jacob R Gissinger, Kristopher E Wise, Margaret Kowalik, Julia A King, S Gowtham, Adri C T van Duin, Gregory M Odegard
Evolution of Glassy Carbon Derived from Pyrolysis of Furan Resin. ACS applied engineering materials 1 (10) (2023)
Yu-Chuan Lin, Riccardo Torsi, Rehan Younas, Christopher L Hinkle, Albert F Rigosi, Heather M Hill, Kunyan Zhang, Shengxi Huang, Christopher Eugene Shuck, Chen Chen, Yu-Hsiu Lin, Daniel Maldonado-Lopez, Jose L Mendoza-Cortes, John Ferrier, Swastik Kar, Nadire Nayir, Siavash Rajabpour, Adri C T van Duin, Xiwen Liu, Deep Jariwala, Jie Jiang, Jian Shi, Wouter Mortelmans, Rafael Jaramillo, Joao Marcelo J Lopes, Roman Engel-Herbert, Anthony Trofe, Tetyana Ignatova, Seng Huat Lee, Zhiqiang Mao, Leticia Damian, Yuanxi Wang, Megan A Steves, Kenneth L Knappenberger, Zhengtianye Wang, Stephanie Law, George Bepete, Da Zhou, Jiang-Xiazi Lin, Mathias S Scheurer, Jia Li, Pengjie Wang, Guo Yu, Sanfeng Wu, Deji Akinwande, Joan Marie Redwing, Mauricio Terrones, Joshua A Robinson
Recent Advances in 2D Material Theory, Synthesis, Properties, and Applications. ACS nano (2023)
Yongjian Yang, Yun Kyung Shin, Hideaki Ooe, Xinyang Yin, Xueyi Zhang, Adri C T van Duin, Yasuhiro Murase, John C Mauro
Aqueous Stability of Metal-Organic Frameworks Using ReaxFF-Based Metadynamics Simulations. The journal of physical chemistry. B (2023)
Waqar Ahmad, Paramita Koley, Swarit Dwivedi, Rajan Lakshman, Yun Kyung Shin, Adri C T van Duin, Abhijit Shrotri, Akshat Tanksale
Aqueous phase conversion of CO 2 into acetic acid over thermally transformed MIL-88B catalyst. Nature communications 14 (1) (2023)
Haoyue Zhu, Nadire Nayir, Tanushree H Choudhury, Anushka Bansal, Benjamin Huet, Kunyan Zhang, Alexander A Puretzky, Saiphaneendra Bachu, Krystal York, Thomas V Mc Knight, Nicholas Trainor, Aaryan Oberoi, Ke Wang, Saptarshi Das, Robert A Makin, Steven M Durbin, Shengxi Huang, Nasim Alem, Vincent H Crespi, Adri C T van Duin, Joan Marie Redwing
Step engineering for nucleation and domain orientation control in WSe 2 epitaxy on c-plane sapphire. Nature nanotechnology (2023)
Mike Pols, Tobias Hilpert, Ivo A W Filot, Adri C T van Duin, Sofía Calero, Shuxia Tao
What Happens at Surfaces and Grain Boundaries of Halide Perovskites: Insights from Reactive Molecular Dynamics Simulations of CsPbI 3 . ACS applied materials & interfaces 14 (36) (2022)
Michał Kański, Sviatoslav Hrabar, Adri C T van Duin, Zbigniew Postawa
Development of a Charge-Implicit ReaxFF for C/H/O Systems. The journal of physical chemistry letters 13 (2) (2022)
Anushka Bansal, Nadire Nayir, Ke Wang, Patrick Rondomanski, Shruti Subramanian, Shalini Kumari, Joshua A Robinson, Adri C T van Duin, Joan Marie Redwing
Toward a Mechanistic Understanding of the Formation of 2D-GaN x in Epitaxial Graphene. ACS nano (2022)
Chidozie Onwudinanti, Mike Pols, Geert Brocks, Vianney Koelman, Adri C T van Duin, Thomas Morgan, Shuxia Tao
A ReaxFF Molecular Dynamics Study of Hydrogen Diffusion in Ruthenium-The Role of Grain Boundaries. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (13) (2022)
Mehmet Cagri Kaymak, Ali Rahnamoun, Kurt A O'Hearn, Adri C T van Duin, Kenneth M Merz, Hasan Metin Aktulga
JAX-ReaxFF: A Gradient-Based Framework for Fast Optimization of Reactive Force Fields. Journal of chemical theory and computation 18 (9) (2022)
Cécile A C Chazot, Behzad Damirchi, Byeongdu Lee, Adri C T van Duin, A John Hart
Molecular Alignment of a Meta-Aramid on Carbon Nanotubes by In Situ Interfacial Polymerization. Nano letters 22 (3) (2022)
Qiang Xu, Jie Zhang, Xin Li, Diana M van Duin, Yuanzhong Hu, Adri C T van Duin, Tian-Bao Ma
How Polytetrafluoroethylene Lubricates Iron: An Atomistic View by Reactive Molecular Dynamics. ACS applied materials & interfaces 14 (4) (2022)
Jhaison C de Faria, Ricardo Paupitz, Adri C T van Duin, Mario A Bernal
Evaluation of the Reax Force-Field for Studying the Collision of an Energetic Proton with the DNA. Journal of chemical theory and computation 18 (11) (2022)
Nuruzzaman Sakib, Shiddartha Paul, Nadire Nayir, Adri C T van Duin, Sara Neshani, Kasra Momeni
Role of tilt grain boundaries on the structural integrity of WSe 2 monolayers. Physical chemistry chemical physics : PCCP 24 (44) (2022)
Qian Mao, Siavash Rajabpour, Mahdi Khajeh Talkhoncheh, Jiadeng Zhu, Malgorzata Kowalik, Adri C T van Duin
Cost-effective carbon fiber precursor selections of polyacrylonitrile-derived blend polymers: carbonization chemistry and structural characterizations. Nanoscale 14 (17) (2022)
Prashik S Gaikwad, Margaret Kowalik, Benjamin D Jensen, Adri C T van Duin, Gregory M Odegard
Molecular Dynamics Modeling of Interfacial Interactions between Flattened Carbon Nanotubes and Amorphous Carbon: Implications for Ultra-Lightweight Composites. ACS applied nano materials 5 (4) (2022)
Anushka Bansal, Nadire Nayir, Ke Wang, Patrick Rondomanski, Shruti Subramanian, Shalini Kumari, Joshua A Robinson, Adri C T van Duin, Joan Marie Redwing
Toward a Mechanistic Understanding of the Formation of 2D-GaN x in Epitaxial Graphene. ACS nano 17 (1) (2022)
Aman Gupta, Ali Khodayari, Adri C T van Duin, Ulrich Hirn, Aart W Van Vuure, David Seveno
Cellulose Nanocrystals: Tensile Strength and Failure Mechanisms Revealed Using Reactive Molecular Dynamics. Biomacromolecules 23 (6) (2022)
Karthik Ganeshan, Rabi Khanal, Murali Gopal Muraleedharan, Matti Hellström, Paul R C Kent, Stephan Irle, Adri C T van Duin
Importance of Nuclear Quantum Effects on Aqueous Electrolyte Transport under Confinement in Ti 3 C 2 MXenes. Journal of chemical theory and computation 18 (11) (2022)
Aditya Dilip Lele, Predrag S Krstic, Adri C T van Duin
ReaxFF Force Field Development for Gas-Phase hBN Nanostructure Synthesis. The journal of physical chemistry. A 126 (4) (2022)
Mike Pols, Jose Manuel Vicent-Luna, Ivo A W Filot, Adri C T van Duin, Shuxia Tao
Atomistic Insights Into the Degradation of Inorganic Halide Perovskite CsPbI3: A Reactive Force Field Molecular Dynamics Study. The journal of physical chemistry letters 12 (23) (2021)
Mehrnaz Mojtabavi, Armin VahidMohammadi, Karthik Ganeshan, Davoud Hejazi, Sina Shahbazmohamadi, Swastik Kar, Adri C T van Duin, Meni Wanunu
Wafer-Scale Lateral Self-Assembly of Mosaic Ti3C2Tx MXene Monolayer Films. ACS nano 15 (1) (2021)
Bryan S Matsuura, Steven Huss, Zhaoxi Zheng, Shichen Yuan, Tao Wang, Bo Chen, John V Badding, Dirk H Trauner, Elizabeth Elacqua, Adri C T van Duin, Vincent H Crespi, Klaus Schmidt-Rohr
Perfect and Defective 13C-Furan-Derived Nanothreads from Modest-Pressure Synthesis Analyzed by 13C NMR. Journal of the American Chemical Society (2021)
Shelby B Pillai, Karthik Ganeshan, Wan-Yu Tsai, Tao Wu, Saeed Saeed, De-En Jiang, Nina Balke Wisinger, Adri C T van Duin, Veronica Augustyn
Effects of interlayer confinement and hydration on capacitive charge storage in birnessite. Nature materials 20 (12) (2021)
M Laura Urquiza, Md Mahbubul Islam, Adri C T van Duin, Xavier Cartoixà, Alejandro Strachan
Atomistic Insights on the Full Operation Cycle of a HfO2-Based Resistive Random Access Memory Cell from Molecular Dynamics. ACS nano 15 (8) (2021)
Phuoc H H Duong, Yun Kyung Shin, Valerie A Kuehl, Mohammad M Afroz, John O Hoberg, Bruce A Parkinson, Adri C T van Duin, Katie Dongmei Li-Oakey
Molecular Interactions and Layer Stacking Dictate Covalent Organic Framework Effective Pore Size. ACS applied materials & interfaces 13 (35) (2021)
Danielle Reifsnyder Hickey, Nadire Nayir, Mikhail Chubarov, Tanushree H Choudhury, Saiphaneendra Bachu, Leixin Miao, Yuanxi Wang, Chenhao Qian, Vincent H Crespi, Joan Marie Redwing, Adri C T van Duin, Nasim Alem
Illuminating Invisible Grain Boundaries in Coalesced Single-Orientation WS2 Monolayer Films. Nano letters 21 (15) (2021)
Arnaud Ndayishimiye, Mert Y Sengul, Dooman Akbarian, Zhongming Fan, Kosuke Tsuji, Sun Hwi Bang, Adri C T van Duin, Clive A Randall
Dynamics of the Chemically Driven Densification of Barium Titanate Using Molten Hydroxides. Nano letters 21 (8) (2021)
Ray A Matsumoto, Matthew W Thompson, Van Quan Vuong, Weiwei Zhang, Yuya Shinohara, Adri C T van Duin, Paul R C Kent, Stephan Irle, Takeshi Egami, Peter T Cummings
Investigating the Accuracy of Water Models through the Van Hove Correlation Function. Journal of chemical theory and computation 17 (10) (2021)
Dundar E Yilmaz, William Henry Hunter Woodward, Adri C T van Duin
Machine Learning-Assisted Hybrid ReaxFF Simulations. Journal of chemical theory and computation 17 (11) (2021)
Karthik Ganeshan, Yun Kyung Shin, Naresh C Osti, Yangyunli Sun, Kaitlyn Prenger, Michael Naguib, Madhusudan Tyagi, Eugene Mamontov, De-En Jiang, Adri C T van Duin
Structure and Dynamics of Aqueous Electrolytes Confined in 2D-TiO2/Ti3C2T2 MXene Heterostructures. ACS applied materials & interfaces 12 (52) (2020)
Nabankur Dasgupta, Dundar E Yilmaz, Adri C T van Duin
Simulations of the Biodegradation of Citrate-Based Polymers for Artificial Scaffolds Using Accelerated Reactive Molecular Dynamics. The journal of physical chemistry. B 124 (25) (2020)
Ali Rahnamoun, Mehmet Cagri Kaymak, Madushanka Manathunga, Andreas W Götz, Adri C T van Duin, Kenneth M Merz, Hasan Metin Aktulga
ReaxFF/AMBER-A Framework for Hybrid Reactive/Nonreactive Force Field Molecular Dynamics Simulations. Journal of chemical theory and computation 16 (12) (2020)
Zan Gao, Jiadeng Zhu, Siavash Rajabpour, Kaushik Joshi, Małgorzata Kowalik, Brendan P Croom, Yosyp Schwab, Liwen Zhang, Clifton Bumgardner, Kenneth R Brown, Diana Burden, James William Klett, Adri C T van Duin, Leonid V Zhigilei, Xiaodong Li
Graphene reinforced carbon fibers. Science advances 6 (17) (2020)
Pierre-Louis Valdenaire, Roland J M Pellenq, Franz J Ulm, Adri C T van Duin, Jean-Marc Leyssale
Timescale prediction of complex multi-barrier pathways using flux sampling molecular dynamics and 1D kinetic integration: Application to cellulose dehydration. The Journal of chemical physics 152 (2) (2020)
Frédéric A Perras, Muralikrishna Raju, Scott L Carnahan, Dooman Akbarian, Adri C T van Duin, Aaron J Rossini, Marek Pruski
Full-Scale Ab Initio Simulation of Magic-Angle-Spinning Dynamic Nuclear Polarization. The journal of physical chemistry letters 11 (14) (2020)
Swarit Dwivedi, Malgorzata Kowalik, Nilton Rosenbach, Dalal S Alqarni, Yun Kyung Shin, Yongjian Yang, John C Mauro, Akshat Tanksale, Alan L Chaffee, Adri C T van Duin
Atomistic Mechanisms of Thermal Transformation in a Zr-Metal Organic Framework, MIL-140C. The journal of physical chemistry letters 12 (1) (2020)
Hyunguk Kwon, Brian D Etz, Matthew J Montgomery, Richard Messerly, Sharmin Shabnam, Shubham Vyas, Adri C T van Duin, Charles S McEnally, Lisa D Pfefferle, Seonah Kim, Yuan Xuan
Reactive Molecular Dynamics Simulations and Quantum Chemistry Calculations To Investigate Soot-Relevant Reaction Pathways for Hexylamine Isomers. The journal of physical chemistry. A 124 (21) (2020)
Nadire Nayir, Adri C T van Duin, Sakir Erkoc
Development of the ReaxFF Reactive Force Field for Inherent Point Defects in the Si/Silica System. The journal of physical chemistry. A 123 (19) (2019)
Ganna Shchygol, Alexei Yakovlev, Tomáš Trnka, Adri C T van Duin, Toon Verstraelen
ReaxFF Parameter Optimization with Monte-Carlo and Evolutionary Algorithms: Guidelines and Insights. Journal of chemical theory and computation 15 (12) (2019)
Mert Y Sengul, Jing Guo, Clive A Randall, Adri C T van Duin
Water-Mediated Surface Diffusion Mechanism Enables the Cold Sintering Process: A Combined Computational and Experimental Study. Angewandte Chemie (International ed. in English) 58 (36) (2019)
Collin J Wilkinson, Karan Doss, Seung Ho Hahn, Nathan Keilbart, Arron R Potter, Nicholas J Smith, Ismaila Dabo, Adri C T van Duin, Seong H Kim, John C Mauro
Topological Control of Water Reactivity on Glass Surfaces: Evidence of a Chemically Stable Intermediate Phase. The journal of physical chemistry letters 10 (14) (2019)
Jiadeng Zhu, Zan Gao, Malgorzata Kowalik, Kaushik Joshi, Chowdhury M Ashraf, Mikhail I Arefev, Yosyp Schwab, Clifton Bumgardner, Kenneth Brown, Diana Elizabeth Burden, Liwen Zhang, James W Klett, Leonid V Zhigilei, Adri C T van Duin, Xiaodong Li
Unveiling Carbon Ring Structure Formation Mechanisms in Polyacrylonitrile-Derived Carbon Fibers. ACS applied materials & interfaces 11 (45) (2019)
Yawei Gao, Yun Kyung Shin, Daniel Martinez, Guha P Manogharan, Adri C T van Duin
A ReaxFF molecular dynamics study of molecular-level interactions during binder jetting 3D-printing. Physical chemistry chemical physics : PCCP 21 (38) (2019)
Mark V Fedkin, Yun Kyung Shin, Nabankur Dasgupta, Jejoon Yeon, Weiwei Zhang, Diana van Duin, Adri C T van Duin, Kento Mori, Atsushi Fujiwara, Masahiko Machida, Hiroki Nakamura, Masahiko Okumura
Development of the ReaxFF Methodology for Electrolyte-Water Systems. The journal of physical chemistry. A 123 (10) (2019)
Malgorzata Kowalik, Chowdhury M Ashraf, Behzad Damirchi, Dooman Akbarian, Siavash Rajabpour, Adri C T van Duin
Atomistic Scale Analysis of the Carbonization Process for C/H/O/N-Based Polymers with the ReaxFF Reactive Force Field. The journal of physical chemistry. B 123 (25) (2019)
Weiwei Zhang, Xing Chen, Adri C T van Duin
Isotope Effects in Water: Differences of Structure, Dynamics, Spectrum, and Proton Transport between Heavy and Light Water from ReaxFF Reactive Force Field Simulations. The journal of physical chemistry letters 9 (18) (2018)
Gaurav Kumar, Timothy Van Cleve, Jiyun Park, Adri C T van Duin, J Will Medlin, Michael J Janik
Thermodynamics of Alkanethiol Self-Assembled Monolayer Assembly on Pd Surfaces. Langmuir : the ACS journal of surfaces and colloids 34 (22) (2018)
Aniruddh Vashisth, Chowdhury Ashraf, Weiwei Zhang, Charles E Bakis, Adri C T van Duin
Accelerated ReaxFF Simulations for Describing the Reactive Cross-Linking of Polymers. The journal of physical chemistry. A 122 (32) (2018)
Yongjian Yang, Collin J Wilkinson, Kuo-Hao Lee, Karan Doss, Thomas Douglas Bennett, Yun Kyung Shin, Adri C T van Duin, John C Mauro
Prediction of the Glass Transition Temperatures of Zeolitic Imidazolate Glasses through Topological Constraint Theory. The journal of physical chemistry letters 9 (24) (2018)
Mert Y Sengul, Clive A Randall, Adri C T van Duin
ReaxFF Molecular Dynamics Study on the Influence of Temperature on Adsorption, Desorption, and Decomposition at the Acetic Acid/Water/ZnO(101̅0) Interface Enabling Cold Sintering. ACS applied materials & interfaces 10 (43) (2018)
A S M Jonayat, Siqi Chen, Adri C T van Duin, Michael J Janik
Predicting Monolayer Oxide Stability over Low-Index Surfaces of TiO2 Polymorphs Using ab Initio Thermodynamics. Langmuir : the ACS journal of surfaces and colloids 34 (39) (2018)
Steven H Overbury, Alexander I Kolesnikov, Gilbert M Brown, Zhiyong Zhang, Gokul S Nair, Robert L Sacci, Roghayyeh Lotfi, Adri C T van Duin, Michael Naguib
Complexity of Intercalation in MXenes: Destabilization of Urea by Two-Dimensional Titanium Carbide. Journal of the American Chemical Society 140 (32) (2018)

Adri C T van Duin.css-eqlu8i{font-size:small;padding-left:4px;} (Adri van Duin)

Publication Activity (10 Years)

Top Topics

Top Venues

Adri C T van Duin (Adri van Duin)