P
Penghao Xiao
Researcher at Lawrence Livermore National Laboratory
Publications - 60
Citations - 3823
Penghao Xiao is an academic researcher from Lawrence Livermore National Laboratory. The author has contributed to research in topics: Chemistry & Density functional theory. The author has an hindex of 25, co-authored 52 publications receiving 2755 citations. Previous affiliations of Penghao Xiao include University of California, Berkeley & University of Texas at Austin.
Papers
More filters
Journal ArticleDOI
Enhanced Charge-Transfer Kinetics by Anion Surface Modification of LiFePO4.
Kyusung Park,Kyusung Park,Penghao Xiao,So-Yeon Kim,Anthony G. Dylla,Young-Min Choi,Graeme Henkelman,Keith J. Stevenson,John B. Goodenough +8 more
TL;DR: In this article, Nitrogen and sulfur adsorption/chemisorption on LiFePO4 particles is characterized by DFT calculations and time of flight secondary ion mass spectrometry.
Journal ArticleDOI
Visible light and iodate/iodide mediated degradation of bisphenol A by self-assembly 3D hierarchical BiOIO3/Bi5O7I Z-scheme heterojunction: Intermediates identification, radical mechanism and DFT calculation.
TL;DR: In this paper , a self-assembly 3D hierarchical microsphere BiOIO3/Bi5O7I Z-scheme heterojunction with carrier transfer channel was firstly fabricated by in-situ solvothermal method.
Journal ArticleDOI
PTCDA molecular monolayer on Pb thin films: An unusual {\pi}-electron Kondo system and its interplay with a quantum-confined superconductor
Shuangzan Lu,Hyoungdo Nam,Penghao Xiao,Mengke Liu,Yanping Guo,Yusong Bai,Zhengbo Cheng,Jinghao Deng,Y. M. Li,Haitao Zhou,Graeme Henkelman,Gregory A. Fiete,Hong-Jun Gao,Allan H. MacDonald,Chendong Zhang,Chih-Kang Shih +15 more
TL;DR: In this paper, a PTCDA (3,4,9,10-perylene tetracarboxylic dianhydride) molecular monolayer was placed on ultra-thin Pb films, where the magnetic moments reside in the unpaired molecular orbital originating from interfacial charge-transfers.
Posted Content
An L$_0$L$_1$-norm compressive sensing paradigm for the construction of sparse predictive lattice models using mixed integer quadratic programming
Wenxuan Huang,Alexander Urban,Penghao Xiao,Ziqin Rong,Hena Das,Tina Chen,Nongnuch Artrith,Alexandra J. Toumar,Gerbrand Ceder +8 more
TL;DR: This paper illustrates a more robust L0L1-norm compressive-sensing method that removes the limitations of conventional compressive sensing and generally results in sparser lattice models that are at least as predictive as those obtained from L1- normCompressive sensing.
Journal ArticleDOI
PTCDA Molecular Monolayer on Pb Thin Films: An Unusual π-Electron Kondo System and Its Interplay with a Quantum-Confined Superconductor.
Shuangzan Lu,Hyoungdo Nam,Penghao Xiao,Penghao Xiao,Mengke Liu,Yanping Guo,Yusong Bai,Zhengbo Cheng,Jinghao Deng,Y. M. Li,Haitao Zhou,Graeme Henkelman,Gregory A. Fiete,Gregory A. Fiete,Hong-Jun Gao,Allan H. MacDonald,Chendong Zhang,Chih-Kang Shih +17 more
TL;DR: In this article, a PTCDA (3,4,9,10-perylene tetracarboxylic dianhydride) molecular monolayer was placed on ultrathin Pb films, where the magnetic moments reside in the unpaired molecular orbital originating from interfacial charge transfers.