Dequan Xiao, Ph.D.

Dequan Xiao Headshot
Interim Chair
Chemistry Graduate Program Coordinator

Chemistry and Chemical & Biomedical Engineering Department
Tagliatela College of Engineering
Education

Postdoctoral associate, Theoretical and Computational Chemistry, Yale University, 2009-2013

Ph.D., Theoretical and Computational Chemistry, Duke University, 2009.

M.S., Industrial Chemistry, University of Central Florida, 2003

M.S., Polymer Chemistry and Physics, Sichuan University (China), 1999

B.S., Chemistry, Sichuan University (China), 1996

About Dequan

Dequan Xiao joined the faculty of the University of New Haven in August 2013. His research interest is focused on developing new theoretical and computational chemistry methods based on quantum chemistry and statistical mechanics to study energy transfer, nonlinear optics, and catalysis for the applications in renewable energy science, soft condensed matters, and biophysics.

Dequan Xiao will teach Physical Chemistry and Physical Chemistry Laboratory in the fall of 2013. 

For more on Professor Xiao's research, visit his research's group website: http://imdcenter.newhaven.edu/

Publications

2021

Lili Lin, Yuzhen Ge, Hongbo Zhang, Meng Wang, Dequan Xiao, Ding Ma, "Heterogeneous Catalysis in Water", JACS Au, 2021, Article ASAP.

Peng Zhai, Yinwen Li, Meng Wang, Jinjia Liu, Zhi Cao, Jie Zhang, Yao Xu, Xingwu Liu, Yong-Wang Li, Qingjun Zhu, Dequan Xiao, Xiao-Dong Wen and Ding Ma, "Development of direct conversion of syngas to unsaturated hydrocarbons based on Fischer-Tropsch route ", Chem, 2021, accepted.

Linlin Wang, Jiangyong Diao, Mi Peng, Yunlei Chen, Xiangbin Cai, Yuchen Deng, Fei Huang, Xuetao Qin, Dequan Xiao, Zheng Jiang, Ning Wang, Ting Sun, XiaoDong Wen, Hongyang Liu, and Ding Ma, "Cooperative Sites in Fully Exposed Pd Clusters for Low-temperature Direct Dehydrogenation Reaction", ACS Catalysis, 2021, 11, 111469-11477.

Siyu Yao, Mi Peng, Lili Lin, Dequan Xiao, Chuan Shi, Ding Ma, "Low Temperature Water-gas Shift Catalysts: Toward the Efficient H2 Purification", Manuscript, 2021, submitted.

Fanchi Meng, Mi Peng, Yunlei Chen, Xiangbin Cai, Fei Huang, Lini Yang, Xiao Liu, Tao Li, Xiaodong Wen, Ning Wang, Dequan Xiao, Lixin Xia, Hongyang Liu, and Ding Ma, "An Atomically Dispersed Cu3 Cluster Nanozyme with Enhanced Oxidase-Like Activity for Antibacterial Application". Manuscript, 2021,submitted.

Michael Orsini, Johnny Chang, Laurene Petitjean, David Landofi, William Schwartz, Lin Zhang, Zhaohui Tong, Paul T. Anastas, and Dequan Xiao, "Design Heterogeneous Catalysts for Lignin Degradation Guided by Inverse Molecular Design Theory", Manuscript, 2021, to be submitted.

Jing-he Yang, Mi Peng, Dan-Dan Zhai, Dequan Xiao, Zhang-Jie Shi, Siyu Yao, and Ding Ma, "Direct Fixation of N2 into Value-Added Organic Chemicals", Manuscript, 2021, submitted.

Jiliang Ma, Yancong Li, Hang Su, Dongnv Jin, Gaojie Jiao, Dequan Xiao, Runcang Sun "Highly Selective Oxidation of Biomass Derivatives by Ultrahigh-Loading of Single-Atoms in Photocatalysts", Manuscript, 2021, Submitted.

Pashupati Pokharel, Feng Wei, and Dequan Xiao, "Thermomechanical Properties of Polypropylene and Styrene-ethylene-butylene-styrene Blends: A Molecular Simulation and Experimental Study", Manuscript, 2021, to be submitted.

Meng Wang, Dequan Xiao, and Ding Ma, "Direct Observation of the Active Sites in Methane Dehydroaromatization by NMR", CHEM, 2021, 7(6),1424-1427.

Mingsai Li, Lin Xin Zhong, Wei Chen, Yiming Huang, Zhongxin Chen, Dequan Xiao, Ren Zou, Liang Chen, Qi Hao, Zehao Liu, Runcang Sun, Xinwen Peng, "Regulating the electron-hole separation to promote selective oxidation of biomass using ZnS@Bi2S3 nanosheet catalyst", Applied Catalysis. B: Environmental, 2021, 292, 120180.

Emily Z. Wang, Yigui Wang, and Dequan Xiao, "Polymer Nanocomposites for Photocatalytic Degradation and Photo-Induced Utilizations of Azo-Dyes" Polymers, 2021,13(8),1215.

Qian Zhuang, Na Ma, Zhaohui Yin, Xue Yang, Zhen Yin, Jian Gao, Yao Xu, Zirui Gao, Hong Wang, Jianli Kang, Dequan Xiao, Jianxin Li, Xifei Li, Ding Ma, "Rich Surface Oxygen Vacancies of MnO2 for Enhancing Electrocatalytic Oxygen Reduction and Oxygen Evolution Reactions", Advanced Energy and Sustainability Research, 2021, online.

Xiaowen Chen, Mi Peng, Xiangbin Cai, Yunlei Chen, Zhimin Jia, Yuchen Deng, Bingbao Mei, Zheng Jiang, Dequan Xiao, Xiaodong Wen, Ning Wang, Hongyang Liu, Ding Ma, "Regulating Coordination Number in Atomically Dispersed Pt Species on Defect-Rich Graphene for n-Butane Dehydrogenation Reaction" Nature Communications, 2021, 12(1), 1-9.

Danielle S. Hanson, Yigui Wang, Xinrui Zhou, Erik Washburn, Merve B. Ekmekci, Donovan Dennis, Amay Paripati, Dequan Xiao, Meng Zhou "Catalytic Formation of Urea from Ammonium Carbamate using a Copper(II) Complex: A Combined Experimental and Computational Study", Inorganic Chemistry, 2021,60(8),5573-5589.

B.Gopalakrishna, N.Nagaraju, Krishna Ventakesh, Dequan Xiao, N.Kathyayini "Studies on the influence of weight percentage of multiwalled carbon nanotubes in Mn/Ni/Co nanocomposites for hybrid supercapacitors", Inorganic Chemistry Communications, 2021, 124, 108371.

Haiping Gao, Yigui Wang, Moyosore Alfolabi, Dequan Xiao, Yongsheng Chen "Incorporation of Cellulose Nanocrystal into Graphene Oxide Membranes for Efficient Antibiotics Removal at High Nutrients Recovery", ACS Applied Materials and Interface 2021,13(12), 14102-14111.

Lawrence M Pratt, Jihyun Kim, Ho-Yin Lo, Dequan Xiao, "Brown Grease Pyrolysis under Pressure: Extending the Range of Reaction Conditions and Hydrocarbon Product Distributions", Fuel, 2020, 289, 119782.

Mi Peng, Chunyang Dong, Rui Gao, Dequan Xiao, Hongyang Liu, Ding Ma "Fully-Exposed Cluster Catalyst: Towards Rich Surface Sites and Full Atom Utilization Efficiency", ACS Central Science, 2021,7(2), 262-273.

2020

Xiao Zhang, Yang Liu, Mengtao Zhang, Tao Yu, Bingbing Chen, Yao Xu, Mark Crocker, Xiaobing Zhu, Yuchen Zhu, Rongming Wang, Dequan Xiao, Mingshu Bi, Ding Ma, Chuan Shi "Synergy Between beta-Mo2C Nanorods and Non-thermal Plasma for Selective CO2 Reduction to CO", Chem, 6(12),2020,3312-3328.

Deval Prasad Bhattarai, Pashupati Pokharel, and Dequan Xiao, "Surface Functionalization of Polymers", Book Chapter in Gutierrez T. J. (eds), Reactive and Functional Polymers Volume Four, Springer, Cham. 2020.

Hanxi Bao, William J. Sagues, Yigui Wang, Shunchang Yang, Dequan Xiao, and Zhaohui Tong, "Depolymerization of Lignin to Monophenolics by Ferrous/Persulfate Reagent Under Mild Conditions", ChemSusChem, 13, 2020, 6582-6593.

Hanxi Bao, William J. Sagues, Yigui Wang, Shunchang Yang, Dequan Xiao, and Zhaohui Tong, "Depolymerization of Lignin to Monophenolics by Ferrous/Persulfate Reagent Under Mild Conditions", ChemSusChem, 13, 2020,6582-6593.

Chunyang Dong, Yinlong Li, Danyang Cheng, Mengtao Zhang, Jinjia Liu, Yang-Gang Wang, Dequan Xiao, and Ding Ma "Supported Metal Clusters: Fabrication and Application in Heterogeneous Catalysis", ACS Catalysis, 10 (19), 2020, 11011-11045.

Jiliang Ma, Dongnv Jin, Yancong Li, Dequan Xiao, Gaojie Jiao, Qiong Liu, Yanzhu Guo, Lingping Xiao, Xiaohong Chen, Xianze Li, Jinghui Zhou, and Runcang Sun "Photocatalytic conversion of biomass-based monosaccharides to lactic acid by ultrathin porous oxygen doped carbon nitride", Applied Catalysis B: Environmental, 283, 2020, 119520.

Chuqiao Song, Xi Liu, Ming Xu, Daniel Masi, Yigui Wang, Yuchen Deng, Mengtao Zhang, Xuetao Qin, Kai Feng, Jie Yan, Jing Leng, Zhaohua Wang, Yao Xu, Binhang Yan, Shengye Jin, Dongsheng Xu, Zhen Yin, Dequan Xiao, Ding Ma "Photothermal Conversion of CO2 with Tunable Selectivity Using Fe-based Catalysts: From Oxide to Carbide" ACS Catalysis, 10(18) 2020, 10364-10374.

Jijiao Zeng, Zhaohui Tong, Hanxi Bao, Nusheng Chen, Fei Wang, Yigui Wang, Dequan Xiao, "Controllable Degradation of Lignin Using Carbocatalyst Graphene Oxide Under Mild Conditions" Fuel 267, 2020, 1171000.

2019

Xiaohui He, Yuchen Deng, Ying Zhang, Qian He, Dequan Xiao, Mi Peng, Yue Zhao, Hao Zhang, Rongchang Luo, Tao Gan, Hongbing Ji, and Ding Ma, "Mechanochemical Kilogram-Scale Synthesis of Noble Metal Single-Atom Catalysts" Cell Reports Physical Science, 2019, 100004.

Trevor Callahan, Daniel Masi, and Dequan Xiao, "Designing Catalytic Sites on Surfaces with Optimal H-Atom Binding via Atom Doping Using the Inverse Molecular Design Approach" Journal of Physical Chemistry B, 2019, 123(48), 10252-10259.

Jia-Jia Yang, Xiang-Yang Liu, Wei-Hai Fang, Dequan Xiao, and Ganglong Cui, "Photoinduced Carrier Dynamics at the Interface of Black Phosphorus and Bismuth Vanadate" Journal of Physical Chemistry A, 2019, 123(46), 10019-10029.

Fei Huang, Yuchen Deng, Yunlei Chen, Xiangbin Cai, Mi Peng, Zhimin Jia, Jinglin Xie, Dequan Xiao, Xiaodong Wen, Ning Wang, Zheng Jiang, Hongyang Liu, and Ding Ma "Anchoring Cu1 species over nanodiamond-graphene for semi-hydrogenation of acetylene" Nature Communications, 2019, 10(1), 1-7.

Yuchen Deng, Yuzhen Ge, Ming Xu, Qiaolin Yu, Dequan Xiao, Siyu Yao, and Ding Ma "Molybdenum carbide: controlling the geometric and electronic structure of noble metals for the activation of O-H and C-H bonds" Accounts of Chemical Research, 2019, 52(12), 3372-3383.

Renxi Jin, Mi Peng, Ang Li, Yuchen Deng, Zhimin Jia, Fei Huang, Yunjian Ling, Fan Yang, Xiaodong Han, Dequan Xiao, Zheng Jiang, Hongyang Liu, and Ding Ma, "Low Temperature Oxidation of Ethane to Oxygenates by Oxygen over Iridium-Cluster Catalysts" Journal of Americal Chemical Society, 2019, 141(48), 18921-18925.

Siwei Li, Jinghe Yang, Chuqiao Song, Qingjun Zhu, Dequan Xiao, Ding Ma "Iron Carbides: Control Synthesis and Catalytic Applications in COx Hydrogenation and Electrochemical HER" Advanced Materials, 2019, 1901796.

Xiaohui He, Qian He, Yuchen Deng, Mi Peng, Hongyu Chen, Ying Zhang, Siyu Yao, Mengtao Zhang, Dequan Xiao, Ding Ma, Binghui Ge, and Hongbing Ji "A versatile route to fabricate single atom catalysts with high chemoselectivity and regioselectivity in hydrogenation" Nature Communications, 2019, 10, 3663.

Pengqi Yan, Wenhan Guo, Zibin Liang, Wei Meng, Zhen Yin, Siwei Li, Mengzhu Li, Mengtao Zhang, Jie Yan, Dequan Xiao, Ruqiang Zou, Ding Ma "Highly efficient K-Fe/C catalysts derived from metal-organic frameworks towards ammonia synthesis" Nano Research, 2019, 1-7.

Jiayun Zhang, Yuchen Deng, Xiangbin Cai, Yunlei Chen, Mi Peng, Zhimin Jia, Zheng Jiang, Pengju Ren, Siyu Yao, Jinglin Xie, Dequan Xiao, Xiaodong Wen, Ning Wang, Hongyang Liu, and Ding Ma "Tin Assisted Fully Exposed Platinum Clusters Stabilized on Defect-Rich Graphene for Dehydrogenation Reaction" ACS Catalysis, 2019, 9(7), 5998-6005.

Yao Xu, Jing Li, Wenjing Li, Weizhen Li, Xiaochen Zhang, Yue Zhao, Jinglin Xie, Xiaoping Wang, Xi Liu, Yongwang Li, Dequan Xiao, Zhen Yin, Yong Cao, and Ding Ma "Direct converion of CO and H2O into liquid fuels under mild conditions" Nature Communications, 10, 2019, 1389.

Zhaoxuan Wu, Bing Yang, Shu Miao, Wei Liu, Jinglin Xie, Sungsik Lee, Michael J. Pellin, Dequan Xiao, Dangsheng Su, and Ding Ma "Lattice Strained Ni-Co alloy as a High-Performance Catalyst for Catalytic Dry Reforming of Methane" ACS Catalysis, 2019,9, 2693-2700.

Pashuapati Pokharel, Dequan Xiao, Folarin Erogbogbo, Ozgur Keles "A novel approach for creating conductive network structure in polyurethane nanocomposites using a hybrid of graphene nanoplatelets, carbon black and multi-walled carbon nanotubes" Composites Part B: Engineering, 2019,161, 169-182.

2018

Jiliang Ma, Zewei Liu, Junlong Song, Linxin Zhong, Dequan Xiao, Hongxia Xi, Xuehui Li, Run-Cang Sun and Xinwen Peng "Au@h-Al2O3 analogic yolk-shell nanocatalyst for highly selectively synthesis of biomass-derived D-xylonic acid via regulation of structure effect" Green Chemistry, 2018,20, 5188-5195.

Siyu Yao, Dequan Xiao, Ding Ma, "Observing How Fischer-Tropsch Synthesis Catalysts Work at the Nanoscale via Operando STXM" (Preview) Chem (Cell Press), 2018,4, 2493-2495.

Fei Huang, Yuchen Deng, Yunlei Chen, Xiangbin Cai, Mi Peng, Zhimin Jia, Pengju Ren, Dequan Xiao, Xiaodong Wen, Ning Wang, Hongyang Liu, and Ding Ma, "Atomically Dispersed Pd on Nanodiamond/Graphene Hybrid for Selective Hydrogenation of Acetylene" Journal of American Chemical Society, 2018, 140 (41), 13142-13146.

Yang Li, Liyuan Kuang, Dequan Xiao, Appala Raju Badireddy, Maocong Hu, Shiqiang Zhuang, Xianqin Wang, Eon Soo Lee, Taha Marhaba, and Wen Zhang, "Hydrogen Production from Organic Fatty Acids using Carbon-Doped TiO2 Nanoparticles under Visible Light Irradiation" International Journal of Hydrogen Energy, 2018, 43, 4335-4346.

Academic Services

Journal reviewer: Journal of Physical Chemistry, Journal of Materials Chemistry, Journal of Mathematical Bioscience, Journal of Applied Polymer Science, Journal of Molecular Modeling, RSC Advances.

Conference organizer: Associate chair for Gordon Research Seminars – Vibrational Spectroscopy in 2014.

Professional Memberships

Member, American Chemical Society.

Member, American Physical Society.

Member, Sigma Xi, the Scientific Research Society.