Debra J Searles

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 33

Top Topics

Walled Carbon Nanotubes

Top Venues

Journal of chemical theory and computation

Journal of the American Chemical Society

Langmuir : the ACS journal of surfaces and colloids

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

Publications

Quang K Loi, Debra J Searles
Reaction Dynamics of CO 2 Hydrogenation on Iron Catalysts Using ReaxFF Molecular Dynamics Simulation. Langmuir : the ACS journal of surfaces and colloids 40 (35) (2024)
Hongwen Chen, Jayendran Iyer, Yue Liu, Simon Krebs, Fuli Deng, Andreas Jentys, Debra J Searles, M Ali Haider, Rachit Khare, Johannes A Lercher
Mechanism of Electrocatalytic H 2 Evolution, Carbonyl Hydrogenation, and Carbon-Carbon Coupling on Cu. Journal of the American Chemical Society 146 (20) (2024)
Hongwen Chen, Jayendran Iyer, Yue Liu, Simon Krebs, Fuli Deng, Andreas Jentys, Debra J Searles, M Ali Haider, Rachit Khare, Johannes A Lercher
Mechanism of Electrocatalytic H 2 Evolution, Carbonyl Hydrogenation, and Carbon-Carbon Coupling on Cu. Journal of the American Chemical Society 146 (20) (2024)
Xiaobo Lin, Shern R Tee, Paul R C Kent, Debra J Searles, Peter T Cummings
Development of Heteroatomic Constant Potential Method with Application to MXene-Based Supercapacitors. Journal of chemical theory and computation 20 (2) (2024)
Xiaobo Lin, Shern R Tee, Paul R C Kent, Debra J Searles, Peter T Cummings
Development of Heteroatomic Constant Potential Method with Application to MXene-Based Supercapacitors. Journal of chemical theory and computation 20 (2) (2024)
Xiaobo Lin, Shern R Tee, Paul R C Kent, Debra J Searles, Peter T Cummings
Development of Heteroatomic Constant Potential Method with Application to MXene-Based Supercapacitors. Journal of chemical theory and computation (2024)
Hongwen Chen, Jayendran Iyer, Yue Liu, Simon Krebs, Fuli Deng, Andreas Jentys, Debra J Searles, M Ali Haider, Rachit Khare, Johannes A Lercher
Mechanism of Electrocatalytic H 2 Evolution, Carbonyl Hydrogenation, and Carbon-Carbon Coupling on Cu. Journal of the American Chemical Society (2024)
Junji Zhang, Debra J Searles, Timothy T Duignan
A Method for Efficiently Predicting the Radial Distribution Function and Osmotic Coefficients of Aqueous Electrolyte Solutions. Journal of chemical theory and computation (2024)
Hongwen Chen, Jayendran Iyer, Yue Liu, Simon Krebs, Fuli Deng, Andreas Jentys, Debra J Searles, M Ali Haider, Rachit Khare, Johannes A Lercher
Mechanism of Electrocatalytic H 2 Evolution, Carbonyl Hydrogenation, and Carbon-Carbon Coupling on Cu. Journal of the American Chemical Society 146 (20) (2024)
Junji Zhang, Debra J Searles, Timothy T Duignan
A Method for Efficiently Predicting the Radial Distribution Function and Osmotic Coefficients of Aqueous Electrolyte Solutions. Journal of chemical theory and computation 20 (15) (2024)
Quang K Loi, Debra J Searles
Reaction Dynamics of CO 2 Hydrogenation on Iron Catalysts Using ReaxFF Molecular Dynamics Simulation. Langmuir : the ACS journal of surfaces and colloids (2024)
Xiaobo Lin, Shern R Tee, Paul R C Kent, Debra J Searles, Peter T Cummings
Development of Heteroatomic Constant Potential Method with Application to MXene-Based Supercapacitors. Journal of chemical theory and computation 20 (2) (2024)
R M N M Rathnayake, Debra J Searles, Timothy T Duignan, Xiu Song Zhao
Effect of fluoro and hydroxy analogies of diglyme on sodium-ion storage in graphite: a computational study. Physical chemistry chemical physics : PCCP (2023)
Qiaoyun Wang, Ye Yu, Yixin Chang, Xin Xu, Min Wu, Gayathri R Ediriweera, Hui Peng, Xu Zhen, Xiqun Jiang, Debra J Searles, Changkui Fu, Andrew Keith Whittaker
Fluoropolymer-MOF Hybrids with Switchable Hydrophilicity for 19 F MRI-Monitored Cancer Therapy. ACS nano (2023)
Shern R Tee, Debra J Searles
Constant Potential and Constrained Charge Ensembles for Simulations of Conductive Electrodes. Journal of chemical theory and computation (2023)
Qiaoyun Wang, Ye Yu, Yixin Chang, Xin Xu, Min Wu, Gayathri R Ediriweera, Hui Peng, Xu Zhen, Xiqun Jiang, Debra J Searles, Changkui Fu, Andrew Keith Whittaker
Fluoropolymer-MOF Hybrids with Switchable Hydrophilicity for 19 F MRI-Monitored Cancer Therapy. ACS nano 17 (9) (2023)
Qiaoyun Wang, Ye Yu, Yixin Chang, Xin Xu, Min Wu, Gayathri R Ediriweera, Hui Peng, Xu Zhen, Xiqun Jiang, Debra J Searles, Changkui Fu, Andrew Keith Whittaker
Fluoropolymer-MOF Hybrids with Switchable Hydrophilicity for 19 F MRI-Monitored Cancer Therapy. ACS nano (2023)
Qiaoyun Wang, Ye Yu, Yixin Chang, Xin Xu, Min Wu, Gayathri R Ediriweera, Hui Peng, Xu Zhen, Xiqun Jiang, Debra J Searles, Changkui Fu, Andrew Keith Whittaker
Fluoropolymer-MOF Hybrids with Switchable Hydrophilicity for 19 F MRI-Monitored Cancer Therapy. ACS nano (2023)
Qiaoyun Wang, Ye Yu, Yixin Chang, Xin Xu, Min Wu, Gayathri R Ediriweera, Hui Peng, Xu Zhen, Xiqun Jiang, Debra J Searles, Changkui Fu, Andrew Keith Whittaker
Fluoropolymer-MOF Hybrids with Switchable Hydrophilicity for 19 F MRI-Monitored Cancer Therapy. ACS nano 17 (9) (2023)
Qiaoyun Wang, Ye Yu, Yixin Chang, Xin Xu, Min Wu, Gayathri R Ediriweera, Hui Peng, Xu Zhen, Xiqun Jiang, Debra J Searles, Changkui Fu, Andrew Keith Whittaker
Fluoropolymer-MOF Hybrids with Switchable Hydrophilicity for 19 F MRI-Monitored Cancer Therapy. ACS nano 17 (9) (2023)
Xiaoen Wang, Cheng Zhang, Michal Sawczyk, Ju Sun, Qinghong Yuan, Fangfang Chen, Tiago C Mendes, Patrick C Howlett, Changkui Fu, Yiqing Wang, Xiao Tan, Debra J Searles, Petr Král, Craig J Hawker, Andrew Keith Whittaker, Maria Forsyth
Ultra-stable all-solid-state sodium metal batteries enabled by perfluoropolyether-based electrolytes. Nature materials 21 (9) (2022)
Michelle A Hunter, Baris Demir, Charlotte F Petersen, Debra J Searles
New Framework for Computing a General Local Self-Diffusion Coefficient Using Statistical Mechanics. Journal of chemical theory and computation 18 (6) (2022)
Charlotte F Petersen, Debra J Searles
Equilibrium distribution functions: connection with microscopic dynamics. Physical chemistry chemical physics : PCCP 24 (11) (2022)
Yanjun Liu, Yuexin Cao, Xiacong Zhang, Yaodong Lin, Wen Li, Baris Demir, Debra J Searles, Andrew Keith Whittaker, A-Fang Zhang
Thermoresponsive Supramolecular Assemblies from Dendronized Amphiphiles To Form Fluorescent Spheres with Tunable Chirality. ACS nano (2021)
Yanjun Liu, Yaodong Lin, Yuexin Cao, Aomiao Zhi, Jiabei Chen, Wen Li, Baris Demir, Debra J Searles, Andrew Keith Whittaker, A-Fang Zhang
Dendronized polydiacetylenes via photo-polymerization of supramolecular assemblies showing thermally tunable chirality. Chemical communications (Cambridge, England) 57 (95) (2021)
Ardeshir Baktash, James C Reid, Qinghong Yuan, Tanglaw Roman, Debra J Searles
Shaping the Future of Solid-State Electrolytes through Computational Modeling. Advanced materials (Deerfield Beach, Fla.) 32 (18) (2020)
Wei Xia, Michelle A Hunter, Jiayu Wang, Guoxun Zhu, Sarah J Warren, Yingji Zhao, Yoshio Bando, Debra J Searles, Yamauchi Yusuke, Jing Tang
Highly ordered macroporous dual-element-doped carbon from metal-organic frameworks for catalyzing oxygen reduction. Chemical science 11 (35) (2020)
Baris Demir, Debra J Searles
Investigation of the Ionic Liquid Graphene Electric Double Layer in Supercapacitors Using Constant Potential Simulations. Nanomaterials (Basel, Switzerland) 10 (11) (2020)
Michelle A Hunter, Julia M T A Fischer, Marlies Hankel, Qinghong Yuan, Debra J Searles
Doping Effects on the Performance of Paired Metal Catalysts for the Hydrogen Evolution Reaction. Journal of chemical information and modeling 59 (5) (2019)
Longzhou Zhang, Julia Melisande Theresa Agatha Fischer, Yi Jia, Xuecheng Yan, Wei Xu, Xiyang Wang, Jun Chen, Dong-Jiang Yang, Hongwei Liu, Linzhou Zhuang, Marlies Hankel, Debra J Searles, Keke Huang, Shouhua Feng, Christopher L Brown, Xiangdong Yao
Coordination of Atomic Co-Pt Coupling Species at Carbon Defects as Active Sites for Oxygen Reduction Reaction. Journal of the American Chemical Society 140 (34) (2018)
Md D Hossain, James C Reid, Derong Lu, Zhongfan Jia, Debra J Searles, Michael J Monteiro
Influence of Constraints within a Cyclic Polymer on Solution Properties. Biomacromolecules 19 (2) (2018)
Emma Hodges, B M Cooke, E M Sevick, Debra J Searles, B Dünweg, J Ravi Prakash
Equilibrium binding energies from fluctuation theorems and force spectroscopy simulations. Soft matter 12 (48) (2018)
David Ferguson, Debra J Searles, Marlies Hankel
Biphenylene and Phagraphene as Lithium Ion Battery Anode Materials. ACS applied materials & interfaces 9 (24) (2017)