★ Ph.D. student Anton Pozdeev joined on 1/3/2024; B.S., Moscow State University. Welcome aboard!
★ 11/20/23: Prof. Jiang is a Highly Cited Researcher by Clarivate; only one from Vanderiblt University. (link)
★ 7/31/23: Our work on monolayer fullerene network membranes for hydrogen separation has been accepted in Nano Letters. Congrats, Yujing! (doi)
★ 3/7/2023: Congrats to Hyuna for successfully defending her dissertation. Great work, Dr. Kwon!
★ 2/3/23: We welcome Dr. Adrian Dominguez-Castro as a new postdoc in the group.
★ 9/26/22: our paper on Tuning Metal–Dihydrogen Interaction in Metal–Organic Frameworks for Hydrogen Storage was just published in J. Phys. Chem. Lett. Congrats, Hyuna! (doi)
★ 9/3/22: Dr. Wei Zhao joined our group as a postdoc. Welcome aboard!
★ 8/22/22: Dr. Ming Lei joined our group at Vanderbilt as a postdoc. Welcome aboard!
★ 7/1/2022: Our group has moved to Department of Chemical and Biomolecular Engineering at Vanderbilt University.
★ 3/1/2022: We welcome Dr. Hongjun Liu as an Associate Project Scientist in our group.
★ 2/1/2022: We welcome aboard Dr. Wang Lu as a postdoc.
★ 9/20/2021: We welcome aboard new graduate student: Shicheng Li of the Chemistry program; he received his BS degree from Zhejiang University.
★ 6/20/2021: congrats to Tongyu on her 1st first-authored paper in our group: “Understanding the interaction between carboxylates and coinage metals from first principles”, J. Chem. Phys.
★ 5/20/2021: Congrats to Yangyunli for successfully defending her dissertation. Great work, Dr. Sun!
★ 4/8/2021: Our work on Design of Graphene/Ionic-liquid Composites for Carbon Capture was just published in ACS Applied Materials & Interfaces. (doi)
★ 3/4/2021: Our work on “Deep Learning Accelerated Determination of Hydride Locations in Metal Nanoclusters” was just accepted in Angew. Chem. Int. Ed., and published online as accepted article. (doi) Congrats to Song, who’s now a postdoc at UCSD.
★ 1/4/2021: We welcome aboard two new graduate students: Haohong Song of the MSE program and Yujing Tong of the Chemistry program; both received their BS degrees from USTC.
★ 7/27/2020: Our paper on “Stable Surface Terminations of a Perovskite Oxyhydride from First Principles” was accepted in J. Phys. Chem. C, 2020 as part of the upcoming Emily A. Carter Festschrift Virtual Special Issue. Congrats, Kristen! (doi)
★ 6/3/2020: Our paper on using convolutional neural networks to predict gas separations with porous carbons was accepted in Angew. Chem. Congrats, Song! (doi)
★ 5/28/2020: Ph.D. student Lihua Xu successfully defended her dissertation; congrats, Dr. Xu!
★ 5/21/2020: Ph.D. student Song Wang successfully defended his dissertation; congrats, Dr. Wang!
★ 3/27/2020: Our collaboration with ORNL/UTK on “Transformation Strategy for Highly Crystalline Covalent Triazine Frameworks: From Staggered AB to Eclipsed AA Stacking” was published in J. Am. Chem. Soc. (doi) Congrats, Song!
★ 3/6/2020: Our collaboration with Gogotsi group on a review: “Electrode Material-Ionic Liquid Coupling for Electrochemical Energy Storage” has been accepted by Nature Rev. Materials. Congrats to all!
★ 1/13/2020: Our paper on Perovskite-supported Pt single atom for methane activation has been accepted in J. Mater. Chem. A. Congrats to all.
★ 12/01/2019: Our paper on Proton Redox and Transport in MXene-Confined Water has been accepted in ACS Applied Materials & Interfaces,. Congrats, Yangyunli! (doi)
★ 11/20/2019: our paper on “Molecular dynamics simulations of structural and transport properties of molten NaCl-UCl3 using the polarizable-ion model” has been accepted in J. Mol. Liquids. Congrats, Bo!
★ 7/16/2019: Our paper on “Methane chemisorption on oxide-supported Pt single atom” was accepted in ChemPhysChem. (doi)
★ 7/1/2019: Our paper on “Entropic selectivity in air separation via a bilayer nanoporous graphene membrane” was accepted in Phys. Chem. Chem. Phys. Congrats, Song!. (doi)
★ 6/20/2019: Our work on "Computational Screening of MXene Electrodes for Pseudocapacitive Energy Storage" (J. Phys. Chem. C, 2019, 123, 315-321; doi) was highlighted in EFRC Newsletter Summer 2019.
★ 5/27/2019: Our paper “Effect of Hydrogen-Induced Metallization on Chemisorption” has been accepted in JPCC. Congrats to all! (doi)
★ 4/25/2019: Our collaboration with Dr. Zili Wu on the mechanism of water-gas shift reaction on Cu-Cr-Fe-O has been accepted in JACS. Congrats to Victor and the team! (doi)
★ 4/18/2019: Our collaboration with Prof. Rongchao Jin on the excited-state lifetime of Au nanoclusters has been published in Science. Congrats to the team! (doi)
★ 4/18/2019: Victor successfully passed his defense. Congrats, Dr. Fung! (doi)
★ 3/20/2019: Victor Fung has been selected as a Eugene P. Wigner Fellow, a Distinguished Staff Fellowship, at Oak Ridge National Lab. This three-year fellowship will support Victor as a staff researcher at ORNL. Congrats, Victor, on this huge honor!
★ 3/1/2019: Former group member and Ph.D. student Guoxiang (Panpan) Hu receives the 2018 Chinese Government Award for Outstanding Self-financed Students Abroad. Congrats, Panpan!
★ 2/19/2019: our paper on “First Principles Molecular Dynamics Simulations of UCln–NaCl (n=3, 4) Molten Salts” has been accepted in ACS Applied Energy Materials. Congrats, Bo! (doi)
★ 2/2/2019: our paper “Interfacial and electronic properties of heterostructures of MXene and graphene” has been accepted in Phys. Rev. B. Congrats to all! (doi; arXiv)
★ 12/18/2018: our paper “Continuously Tunable Pore Size for Gas Separation via a Bilayer Nanoporous Graphene Membrane” has been accepted in ACS Appl. Nano Mater. Congrats, Song!
★ 12/10/2018: our paper “Structure and Interaction of Ionic Liquid Monolayer on Graphite from First Principles” was accepted in J. Phys. Chem. C. Congrats to all!
★ 12/5/2018: our paper “Confined Ionic Liquid in an Ionic Porous Aromatic Framework for Gas Separation” was accepted in ACS Appl. Polymer Mater. Congrats to all!
★ 12/5/2018: our paper "Computational Screening of MXene Electrodes for Pseudocapacitive Energy Storage" was accepted in J. Phys. Chem. C. Congrats to all!
★ 11/30/2018: our paper "Understanding the Binding of a Bifunctional Amidoximate-Carboxylate Ligand With Uranyl in Seawater" was accepted in J. Phys. Chem. B. Congrats to all! (doi)
★ 10/18/2018: Our review “Insights into Interfaces, Stability, Electronic Properties, and Catalytic Activities of Atomically Precise Metal Nanoclusters from First Principles” was accepted in Accounts of Chemical Research. Congrats to all!
★ 10/17/2018: Our paper "New Bonding Model of Radical Adsorbate on Lattice Oxygen of Perovskites" was accepted in J. Phys. Chem. Lett. Congrats, Victor! (doi)
★ 9/24/20178: Our joint paper with Dr. Zili Wu of ORNL on "Understanding the Impact of Surface Reconstruction of Perovskite Catalysts on CH4 Activation and Combustion" was accepted in ACS Catalysis. Congrats, Victor! (doi)
★ 8/13/2018: Our joint paper with Prof. Peng Zhang of Dalhousie University on “Golden Single-atomic-site Platinum Electrocatalysts” has been accepted in Nature Materials. Congrats, Victor! (doi)
★ 8/10//2018: Our paper on “Low-temperature activation of methane on anchored single atoms: descriptor and prediction” was accepted in PCCP. Congrats, Victor! (doi)
★ 7/18//2018: Our paper on “Effect of pore density on gas permeation through nanoporous graphene membranes” was accepted in Nanoscale. Congrats, Song! (doi)
★ 6/2/2018: Dr. Panpan left the group and UCR to start a postdoc position at Oak Ridge National Lab.
★ 5/31/2018: Congrats to Chad for successfully defending his dissertation!
★ 5/17/2018: Congrats to Cheng for successfully defending his dissertation!
★ 5/11/2018: our paper “First Principles Insight into Electrocatalytic Reduction of CO2to CH4 on a Copper Nanoparticle” was accepted in J. Phys. Chem. C. Congrats, Huilong! (doi)
★ 4/26/2018: Congrats to Panpan for successfully defending her dissertation!
★ 4/25/2018: Victor featured on UCR Today. (link)
★ 4/17/2018: Victor was chosen as a Winner of the Chemical Computing Group Excellence Award for the Fall 2018 ACS national meeting. He’ll receive $1000 and present a poster at the COMP Division during the Fall 2018 ACS national meeting. Congrats, Victor!
★ 4/2/2018-4/6/2018: the Jiang group (PI, Cheng, Song, and Nicole) attended the MRS Spring Meeting; Dr. Jiang ran the Materials for Gas Separations symposium with Nicole as an assistant; Dr. Jiang, Song, and Nicole gave a contributed talk.
★ 3/27/2018: Victor was selected for a DOE Office of Science Graduate Student Research (SCGSR) Program award to work at Oak Ridge National Lab for six months. Congrats, Victor!
★ 3/19/2018: Our paper on “Understanding Methanol Coupling on SrTiO3 from First Principles” was accepted in J. Phys. Chem. C. Congrats, Runhong! (doi)
★ 3/18/2018: Our paper on “Stronger-than-Pt hydrogen adsorption in a Au22 nanocluster for hydrogen evolution reaction” was accepted in J. Mater. Chem. A. Congrats, Panpan! (doi)
★ 2/20/2018: Our paper on “Understanding the MXene Pseudocapacitance" was accepted in JPC Letters. Congrats, Cheng! (doi)
★ 2/8/2018: Our joint paper with Prof. Dongil Lee on “Dopant-Dependent Electronic Structures Observed for M2Au36(SC6H13)24 Clusters (M=Pt, Pd)" was accepted in JPC Letters. Congrats to all! (doi)
★ 2/1/2018: Our paper on "Interface Engineering of Earth-Abundant Transition Metals by Boron Nitride for Selective Electroreduction of CO2" was accepted ACS Applied Materials and Interfaces. Congrats, Panpan! (doi)
★ 1/29/2018: Our joint paper with Prof. F. Tao on "Single rhodium atoms anchored in micropores for efficient transformation of methane under mild condition" was accepted Nature Communications. Congrats, Victor!
★ 1/20/2018: Cheng Zhan won the 2017 Chinese Government Award for Outstanding Self-financed Students Abroad. Congrats, Cheng, for this huge honor and the $6000 cash
★ 12/20/2017: Our paper on "Displacement of carbonates from Ca2UO2(CO3)3 by amidoxime-based ligands from free-energy simulations" was accepted in Dalton Transactions. Congrats, Bo! (doi)
★ 12/18-23/2017: Dr. Jiang visited Jilin University, Changchun Institute of Applied Chemistry, and Institute of Metal Research at Shenyang, China.
★ 11/24/2017: Our paper on "Exploring perovskites for methane activation from first principles" was accepted in Catal. Sci. Tech. Congrats, Victor! (doi)
★ 10/12/2017: Our joint paper with Prof. Jianping Xie of Singapore on "Precise Control of Alloying Sites of Bimetallic Nanoclusters via Surface Motif Exchange Reaction" was accepted in Nat. Commun. Congrats, Victor!
★ 9/16-21/2017: Dr. Jiang attended the 8th International Conference on Theory of Atomic & Molecular Clusters, presented an invited talk, and chaired one session; Beijing, China
★ 9/19/2017: Our paper on “Optimal Size of a Cylindrical Pore for Post-Combustion CO2 Capture”, was accepted in J. Phys. Chem. C. Congrats, Song! (doi)
★ 8/13-16/2017: Dr. Jiang attended the International Symposium on Monolayer-Protected Clusters (ISMPC15) at Monte Verita, Switzerland and presented an invited talk and chaired one session.
★ 8/10/2017: Our joint paper with Prof. Yujie Sun of Utah State on water splitting was accepted in J. Am. Chem. Soc. Congrats, Panpan! (doi)
★ 8/07-11/2017: Dr. Jiang organized the “Computational Materials Chemistry” Telluride Workshop and also presented an invited talk.
★ 7/17-18/2017: Dr. Jiang visited Prof. Jianping Xie’s group at National University of Singapore.
★ 7/14/2017: Dr. Jiang visited Shanghai Institute of Applied Physics and gave a seminar.
★ 7/13/2017: Dr. Jiang visited Nanchang University and gave a seminar.
★ 7/08/2017-7/11/2017: Dr. Jiang attended the Chinese Materials Research Society Meeting and presented a keynote talk; Yinchuan, Ningxia.
★ 6/26/2017: Dr. Jiang visited Institute of High-Energy Physics and presented a seminar
★ 6/26/2017: Dr. Jiang visited Department of Chemistry, Tsinghua University and presented a seminar.
★ 6/23/2017: Our paper on CO2 Reduction by Structurally Precise Copper-Hydride Nanoclusters was published in J. Am. Chem. Soc. Congrats, Qing! (doi)
★ 6/19/2017: Our joint paper with Dr. Zili Wu of ORNL on "Controlling Reaction Selectivity via Surface Termination of Perovskite Catalysts" was accepted in Angew. Chem. Congrats, Victor! (doi)
★ 5/30/2017: Our joint paper with Prof. Quan-Ming Wang of Tsinghua University on “Alkynyl-Protected Silver Nanoclusters Featuring an Anticuboctahedral Kernel” was published in Nanoscale as a Hot Article with open access. Congrats, Qing! (doi)
★ 5/23/2017: Our joint paper with Dr. Zili Wu’s group at ORNL on "Acid-Base Reactivity of Perovskite Catalysts Probed via Conversion of 2-Propanol over Titanates and Zirconates" was accepted in ACS Catal. Congrats, Victor. (doi)
★ 5/9/2017: Our paper “Metallic Hydrogen in Atomically Precise Gold Nanoclusters” was accepted in Chem. Mater. Congrats, Panpan! (doi)
★ 5/3/2017: Our paper “General Structure-Reactivity Relationship for Oxygen on Transition Metal Oxides” was accepted in J. Phys. Chem. Lett. Congrats, Victor! (doi)
★ 4/17/2017-4/21/2017: Dr. Jiang gave an invited talk and chaired one session at the MRS 2017 Spring Meeting, Apr. 17 - Apr. 21, Phoenix, AZ.
★ 3/30/2017: Dr. Jiang was promoted to associate professor of chemistry with tenure, effective 1 July 2017.
★ 3/27/2017 - 3/29/2017: Dr. Jiang participated in the DOE-BES workshop of Basic Research Needs for Next Generation Electrical Energy Storage as an invited panelist, Gaithersburg, Maryland.
★ 3/28/2017: our paper “Design of Calix-Based Cages for CO2 Capture” was accepted in Ind. Eng. Chem. Res. (doi) and featured on the Cover. Congrats to all!
★ 3/27/2017: Our invited review “Computational Insights into Materials and Interfaces for Capacitive Energy Storage” was accepted in Advanced Science. Congrats, Cheng!
★ 3/24/2017: Our joint paper with the Jiangxi Normal Univ./ORNL/UT-Knoxville team on “Highly Efficient Carbon Monoxide Capture by Carbanion-Functionalized Ionic Liquids through C-site Interaction” was accepted in Angew. Chem. Int. Ed. Congrats, Ziqi!
★ 2/23/2017: Our paper “Ion-Gated Gas Separation through Porous Graphene”, was accepted in Nano Letters. Congrats, Ziqi! (doi)
★ 2/19/2017 - 2/24/2017: Dr. Jiang attended the 57th Sanibel Symposium and gave a plenary talk on “Understanding functional materials for catalysis” at St. Simons Island, GA; Sanibel Symposium is a long-running, premier theoretical chemistry symposium organized by the Quantum Theory Project, University of Florida.
★ 1/30/2017: Our paper “Computational insight into the capacitive performance of graphene edge planes” was accepted in Carbon. Congrats, Cheng! (doi)
★ 1/19/2017: Our joint paper with Prof. Dongil Lee of Yonsei University on “A molecule-like PtAu24(SC6H13)18 nanocluster as an electrocatalyst for hydrogen production" was accepted in Nature Comm. Congrats, Qing and all!
★ 1/7/2017: Our paper “Exploring Structural Diversity and Fluxionality of Ptn (n=10-13) Clusters from First Principles” was accepted in J. Phys. Chem. C. Congrats, Victor! (doi)
★ 12/22/2016: Our paper “Solvation of the vanadate ion in seawater conditions from molecular dynamics simulations” was accepted in Inorganica Chimica Acta. Congrats, Chad! (doi)
★ 11/17/2016: Our paper “Beyond the staple motif: new order at the thiolate-gold interface” was accepted in Nanoscale. Congrats, Panpan! (doi)
★ 11/16/2016: Our paper “Boron Supercapacitors” was accepted in ACS Energy Letters. Congrats, Cheng! (doi)
★ 11/02/2016: Dr. Bo Li, who received his PhD recently from Technical University of Munich, joined our group as a postdoc. Welcome aboard, Bo!
★ 10/19/2016: Dr. Jiang gave an Department Colloquium, Department of Chemistry, University of California, Riverside, CA.
★ 9/29/2016: Our collaboration with Dr. Zili Wu of ORNL on “Diphosphine-protected Au22 Nanoclusters on Oxide Supports Are Active for Gas Phase Catalysis Without Ligand Removal” was accepted in Nano Lett. Congrats, Panpan! (doi)
★ 9/26/2016: Yadong Zhang, from Nanjing Uni. Sci. Tech., joined our group as a CSC-funded visiting student. Welcome aboard, Yadong!
★ 9/6/2016: Song Wang, from Uni. Sci. Tech. China, joined our group as a first-year Ph.D. student! Welcome aboard, Song.
★ 8/21/2016-8/24/2016: Dr. Jiang attended the ACS meeting at Philadelphia and gave three invited talks.
★ 8/20/2016: Our invited perspective “Computational Insight into the Covalent Organic-Inorganic Interface” was accepted in Chem. Mater. Congrats, Qing! (doi)
★ 8/14/2016-8/19/2016: Dr. Jiang attended 18th International Symposium on Small Particles and Inorganic Clusters (ISSPIC-XVIII) in Jyväskylä, Finland and presented a hot-topic talk.
★ 8/10/2016: Our paper “CoP for hydrogen evolution: implications from hydrogen adsorption” was accepted in PCCP. Congrats, Panpan! (doi)
★ 7/28/2016: Dr. Jiang gave an invited talk at Telluride Workshop on Interfacial Chemistry and Charge Transfer for Energy Storage and Conversion, 7/25/2016-7/29/2016, Telluride, CO.
★ 7/2/2016-7/9/2016: Dr. Jiang gave an invited talk at Australian symposium on Computationally Enhanced Materials Design – ACEMD, UNSW, Sydney; also visited and gave a distinguished seminar at CSIRO/Monash-Univ, Clayton, Australia.
★ 7/5/2016: Our paper “Solvation of the Ca2UO2(CO3)3 Complex in Seawater from Classical Molecular Dynamics” was accepted in J. Phys. Chem. B. Congrats, Weihong and all! (doi)
★ 6/27/2016: Our paper “Understanding the pseudocapacitance of RuO2 from joint density functional theory” was accepted in J. Phys. Condens. Matter. Congrats, Cheng! (arXiv.org)
★ 6/20/2016-6/26/2016: Dr. Jiang visited and gave a seminar at Nanjing Normal University; also attended and gave a keynote talk at the 9th International Conference on Computational Nanoscience and New Energy Materials(CNNEM-2016), Shanghai Univ., Shanghai, China.
★ 6/20/2016: Our paper “Mechanism of Hydrogen Evolution Reaction on 1T-MoS2 from First-Principles” was accepted in ACS Catal. Congrats, Qing! (doi)
★ 6/19/2016: Our paper “Site Partition: Turning One Site into Two for Adsorbing CO2” was accepted in J. Phys. Chem. Lett. Congrats, Ziqi! (doi)
★ 5/20/2016: Our paper on “Understanding oxidative dehydrogenation of ethane on Co3O4 nanorods from density functional theory” was accepted in Catal. Sci. Tech. Congrats, Victor! (doi)
★ 5/3/2016: Our joint paper with Prof. Franklin Tao on “Tuning Catalytic Selectivity on Metal Oxide through Deposition of Nonmetallic Atoms in Surface Lattice” was accepted in ACS Catal. Congrats, Victor!
★ 4/6/2016 - 4/12/2016: Dr. Jiang delivered seminars at Univ. Florida, Univ. South Florida, Univ. Central Florida, Florida State Univ., and Univ. Washington.
★ 4/5/2016: Our joint paper with the ORNL/UTK team on “New Strategy for Multi-molar Absorption of CO2 by the Activation of Carboxylate Group in Amino Acid Ionic Liquids” was accepted in Angew. Chem. Int. Ed. Congrats, Ziqi! (doi)
★ 3/30/2016-3/31/2016: Dr. Jiang and Ziqi attended the Carbon Capture symposium in the MRS 2016 Spring meeting at Phoenix. Dr. Jiang gave an invited talk and Ziqi presented an contributed talk.
★ 3/28/2016: Our joint paper with Prof. Ai’s group on “The N-B Interaction through a Water Bridge: Understanding the Chemoselectivity of a Fluorescent Protein Based Probe for Peroxynitrite” was accepted in J. Am. Chem. Soc. Congrats, Ziqi! (doi)
★ 3/13/2016-3/17/2016: Jiang group attended the ACS meeting at San Diego. Dr. Jiang ran the “Nanometal” symposium in the COLL division and the “Computational Materials Chemistry” symposium in the COMP division; in addition, Dr. Jiang gave four invited talks. Qing, Cheng, Ziqi, Chad, and Victor, each gave a contributed talk; Chad also presented a poster.
★ 2/17/2016: Our paper on “Contribution of Dielectric Screening to the Total Capacitance of Few-Layer Graphene Electrodes” was accepted in J. Phys. Chem. Lett. Congrats, Cheng! (doi)
★ 1/31/2016 - 2/2/2016: Dr. Jiang attended the Mesilla Workshop, presented an invited talk, and chaired one session. (link)
★ 2/2/2016: Our joint paper with ORNL/UT-Knoxville on “Rational Design and Synthesis of a Porous, Task-Specific Polycarbazole for Efficient CO2 Capture” was accepted in ChemComm. (doi)
★ 1/22/2016: Our joint paper with Prof. Rongchao Jin on “Isomerism in Au28(SR)20 Nanocluster and Stable Structures” was accepted in JACS. Congrats, Qing! (doi)
★ 1/18/2016: Our paper “First-principles molecular dynamics simulation of the Ca2UO2(CO3)3 complex in water” was accepted in Dalton Trans (doi). Congrats, Chad!
★ 1/7/2016: Our paper “Enhancing Graphene Capacitance by Nitrogen: Effects of Doping Configuration and Concentration” was just accepted in Phys. Chem. Chem. Phys. Congrats, Cheng! (doi)
★ 12/15/2015 - 12/19/2015: Dr. Jiang attended the Pacifichem 2015 at Honolulu, Hawaii and gave two invited talks.
★ 11/22/2015: Our invited review “What can molecular simulation do for global warming?” was accepted in Wiley Interdisciplinary Reviews (WIREs): Computational Molecule Science. Congrats, Ziqi!
★ 10/09/2015: Dr. De-en Jiang joined the UCR Materials Science and Engineering Program as a graduate-level faculty.
★ 10/01/2015: our paper “Understanding Selective Hydrogenation of α,β-Unsaturated Ketones to Unsaturated Alcohols on the Au25(SR)18 Cluster” was accepted in ACS Catal. Congrats to Runhai. (doi)
★ 9/10/2015: our paper “Quantum Effects on the Capacitance of Graphene-Based Electrodes”, was accepted in J. Phys. Chem. C. Congrats, Cheng! (doi)
★ 8/28/2015: our paper “Ligand-Conformation Energy Landscape of Thiolate-Protected Gold Nanoclusters” was accepted in J. Phys. Chem. C (doi).
★ 8/16/2015-8/21/2015: at the ACS Fall Meeting at Boston, Dr. Jiang co-organized two symposia, chaired five sessions, gave two invited talks, and presented a symposium overview at the Phys Division undergraduate-symposium.
★ 8/10/2015: our paper “Global minimization of gold clusters by combining neural network potentials and the basin-hopping method” was accepted in Nanoscale. (doi)
★ 8/3/2015: our paper “Stability and Core-level Signature of Nitrogen Dopants in Carbonaceous Materials” was accepted in Chem. Mater. Congrats, Ziqi! (doi)
★ 7/30/2015: our joint paper with Prof. Dongil Lee of Yonsei University “Interconversion between Superatomic 6-electron and 8-electron Configurations of M@Au24(SR)18 Clusters (M = Pd, Pt)” was accepted in J. Am. Chem. Soc. (doi)
★ 7/27/2015-7/29/2015: Dr. Jiang and Cheng Zhan attended the FIRST EFRC all-hands meeting at Oak Ridge National Lab; Cheng gave a talk on quantum capacitance.
★ 7/21/2015: our paper “Structural Evolution of Tcn (n = 4-20) Clusters from First Principles Global Minimization” was accepted in J. Phys. Chem. A. Congrats, Chad! (doi)
★ 7/14/2015-7/16/2015: Dr. Jiang attended the International Symposium on Monolayer-Protected Clusters (ISMPC15) in Japan, presented an invited talk and chaired one session.
★ 7/2/2015-7/6/2015: Dr. Jiang attended the the International Conference on Chemical Bonding at the Kauai Island and gave an invited talk.
★ 6/29/2015-7/1/2015: Dr. Jiang attended the 8th International Conference on Materials for Advanced Technologies (ICMAT) at Singapore and gave an invited talk.
★ 6/23/2015-6/27/2015: Dr. Jiang organized the “Computational Materials Chemistry” Telluride Workshop and also presented an invited talk.
★ 6/24/2015: our joint paper with Prof. Osman Bakr on “Ag29(BDT)12(TPP)4: A Tetravalent Nanocluster” was accepted in JACS. (doi)
★ 6/15/2015-6/19/2015: Dr. Jiang gave a keynote talk at at the Advances in Modeling of Nano Materials symposium at USTC, Hefei, China; also visited and gave seminars at Anhui University, Shanghai University, and Fudan University.
★ 5/28/2015: our joint paper with Prof. Peng Zhang of Dalhousie on “The Surface Structure of Silver-coated Gold Nanocrystals and Its Influence on Shape Control” was accepted in Nature Communications.
★ 5/20/2015: our paper “Stabilization and Band-Gap Tuning of 1T-MoS2 Monolayer by Covalent Functionalization” is top 10 most downloaded paper of Chemistry of Materials in May and June 2015. (link)
★ 5/19/2015: our paper “Expanded Porphyrins as Two-Dimensional Porous Membranes for CO2 Separation” was accepted in ACS Applied Materials & Interfaces. Congrats, Ziqi! (doi)
★ 5/1/2015: our paper “Stabilization and Band-Gap Tuning of 1T-MoS2 Monolayer by Covalent Functionalization” was accepted in Chemistry of Materials and selected as an ACS Editors’ Choice article (open access to all). Congrats, Qing! (doi)
★ 4/7/2015-4/10/2015, Dr. Jiang, Qing, and Chad attended the MRS Spring Meeting at San Francisco. Dr. Jiang ran the symposium on “Gold-Based Materials and Applications” with Chad as an assistant; both Dr. Jiang and Qing also delivered a contributed talk at the symposium.
★ 3/31/2015: our paper “Ab Initio Screening of CO2-Philic Groups” was accepted in J. Phys. Chem. A. Congrats, Ziqi! (doi)
★ 3/21/2015-3/25/2015: Dr. Jiang attended the ACS National Meeting in Denver and gave a keynote talk and a regular invited talk.
★ 3/18/2015: Dr. Jiang visited Department of Chemistry and Biochemistry, Utah State University and gave a seminar.
★ 2/20/2015: our joint paper with Prof. Quan-Ming Wang of Xiamen University on “Alkynyl-Protected Au23 Nanocluster: A 12-Electron System” was accepted in Angew. Chem.! (doi).
★ 1/16/2015, our paper “Revisiting Structural Models for Au18(SR)14” was accepted in J. Phys. Chem. C. Congrats, Qing! (doi)
★ 1/09/2015 - 1/11/2015: Dr. Jiang attended the 9th International Conference on Computational Physics (ICCP9), Singapore, and gave an invited talk on “Defects in Carbon and their Functional Roles”.
★ 1/09/2015: Dr. Jiang visited Department of Chemical and Biomolecular Engineering, National University of Singapore and gave a seminar
★ 12/29/2014: our joint paper with Prof. Quan-Ming Wang of Xiamen University on “Au19 Nanocluster Featuring a V-Shaped Alkynyl-Gold Motif” was accepted in J. Am. Chem. Soc. (doi)
★ 12/15/2014 - 12/17/2014, Dr. Jiang visited King Abdullah University of Science and Technology (KAUST), Saudi Arabia, and gave a seminar.
★ 12/16/2014, our paper “Ligand effect on isomer stability of Au24(SR)20 clusters” was accepted in Nanoscale. Congrats to all! (doi)
★ 12/4/2014, our joint paper with Prof. Tianying Yan of Nankai University on “Anion-Functionalized Task-Specific Ionic Liquids: Molecular Origin of Change in Viscosity upon CO2 Capture” was accepted in J. Phys. Chem. B. (doi)
★ 11/14/2014 - 11/22/2014: Dr. Jiang visited and gave seminars at Yonsei University (Korea), University of Tokyo, and Tokyo University of Science.
★ 11/16/2014 - 11/19/2014: Dr. Jiang gave an invited talk and chaired one session at International Conference of Electronic Materials and Nanotechnology for Green Environment 2014 (ENGE2014), Jeju, Korea.
★ 11/18/2014, our joint paper with Prof. Lei Zhu of Florida State on “Absorption and Emission Sensitivity of 2-(2’-Hydroxyphenyl)benzoxazole to Solvents and Impurities” was accepted in Photochemistry and Photobiology. (doi)
★ 11/7/2014: Dr. Jiang visited and gave a seminar at Department of Physics and Astronomy, California State University, Northridge, CA.
★ 10/27/2014 - 10/30/2014: Dr. Jiang visited and gave seminars at Xiamen University, East China University of Science and Technology, Shanghai University, and University of Shanghai for Science and Technology.
★ 10/25/2014 - 10/27/2014: Dr. Jiang gave an invited talk, presented a contributed talk, and chaired one session in the Second International Conference of Young Researchers on Advanced Materials in Haikou, China.
★ 10/20/2014: Dr. Jiang visited Department of Chemistry & Biochemistry, UCLA and gave a seminar on “Understanding and Designing Materials by Computation”.
★ 10/16/2014: Dr. Jiang visited Department of Chemistry & Biochemistry, California State Univ. San Bernardino, and gave a seminar on “Understanding and Designing Materials by Computation”.
★ 10/10/2014, Dr. Jiang visited Department of Chemistry, Middle Tennessee State University and gave a seminar on carbon capture.
★ 10/01/2014, our paper “Insights into the PhC≡C/Au Interface” was accepted in Journal of Physical Chemistry C. Congrats, Qing! (link)
★ 9/30/2014, our paper “Nitrogen-Doped Porous Aromatic Frameworks for Enhanced CO2 Adsorption” was accepted in Journal of Colloid and Interface Science. Congrats on all! (link)
★ 9/29/2014, Dr. Ziqi Tian joined our group. Welcome to CMCL, Ziqi!
★ 9/23/2014, Dr. Qing Tang attended UCR’s inaugural postdoctoral symposium and presented a poster on her recent work on the organogold interface.
★ 9/11/2014, Dr. Runhai Ouyang joined our group. Welcome to CMCL, Runhai!
★ 9/10/2014, our paper about the effect of spin-orbit coupling on the optical absorption of Au25(SR)18- is accepted in J. Phys. Chem. Lett. This is a collaboration with Michael Kühn and Prof. Florian Weigend of Karlsruher Institut für Technologie. (link)
★ 9/08/2014, Cheng Zhan, a first-year graduate student, joined our group. Welcome to CMCL, Cheng!
★ 9/2/2014, Chad Priest joined our group. Welcome to CMCL, Chad!
★ 8/21/2014, our joint paper with Prof. Peng Zhang of University of Dalhousie on Au25(SeR)18 was accepted by J. Phys. Chem. C. Congrats to all.
★ 8/14/2014, Dr. Jiang attended the ACS National Meeting at San Francisco and presented three invited talks (on modeling porous graphene, carbonaceous materials, and double-layer capacitors) and one contributed talk (on modeling ionic liquids for gas separation); at the same time, Dr. Jiang ran a symposium on “Applications of Theoretical Chemistry in Energy and Fuel Production” and chaired four sessions.
★ 8/3/2014, our joint paper with Prof. Flavio Mavan of University of Padova on Au25 polymer was accepted in ACS Nano. Hooray! Our group’s first accepted paper at UCR.
★ 7/14/2014, Dr. Qing Tang from Nankai University joined the group as a postdoc, the first member in the group besides the PI. Welcome Qing to CMCL!
★ 7/13/2014 -7/18/2014, Dr. Jiang attended the Telluride Workshop on Battery Materials and gave an invited talk on modeling battery electrolytes.
★ 7/8/2014, we submitted a joint paper with ORNL and Prof. Jianzhong Wu of UCR on nitrogen-doped porous aromatic frameworks for CO2 adsorption to J. Colloid and Interface Sci.
★ 7/7/2014 - 7/11/2014, Dr. Jiang attended the International Center for Materials Research (ICMR) Workshop on Ab-initio description of charged systems and solid/liquid interfaces for semiconductors and electrochemistry at UCSB and gave a talk on modeling supercapacitors.
★ 7/1/2014, Dr. De-en Jiang, the PI, officially started the group - Computational Materials Chemistry Laboratory (CMCL) - at UCR Chemistry.
Group news: