DOI: 10.5061/dryad.76hdr7t1v
title: La and Mn-doped cobalt spinel oxygen evolution catalyst for proton exchange membrane electrolysis

description: Finding electrocatalysts using earth-abundant materials as a replacement
 to iridium for oxygen-evolution reaction (OER) in proton exchange membrane
 water electrolyzer (PEMWE) represents a critical step in reducing the cost
 for green hydrogen production. We report here a nanofibrous cobalt spinel
 catalyst co-doped with lanthanum and manganese prepared from zeolitic
 imidazolate framework embedded in electrospun polymer fiber. The catalyst
 demonstrated a low overpotential of 353 millivolts at 10 milliamperes per
 square centimeter and a low degradation for OER over 360 hours in acidic
 electrolyte. PEMWE containing this catalyst at anode demonstrated a
 current density of 2000 milliamperes per square centimeter at 2.47 volts
 (Nafion® 115 membrane) or 4000 milliamperes per square centimeter at 3.00
 volt (Nafion® 212 membrane), and low degradation in
 accelerated-stress-test. High-resolution electronic microscopy and
 operando X-ray absorption spectroscopy, combined with computational
 modeling, revealed the different functions of lanthanum, manganese, and
 cobalt in enabling enhanced activity, conductivity and acidic tolerance
 within the OER operating window.
description: This dataset contains crystallographic information files (CIFs)
 of La-doped cobalt spinel in all three facets (111) (110) and (100) used
 for the Pourbaix diagram calculation. The CIF files are
 in a standard text file format for representing crystallographic
 information, promulgated by the International Union of Crystallography
 (IUCr).  These CIF files were used in our Pourbaix
 diagram calculation reported in the manuscript “La- and Mn-doped cobalt
 spinel oxygen evolution catalyst for proton exchange membrane
 electrolysis”. DFT codes used for calculation are described in the
 Supplementary Materials. The dataset is compacted into a standard ZIP
 format. The users need to unzip after the download for use. 
 There are three subsets of CIF files in this dataset. They
 represent the crystal lattice structures at lattice facet of (111), (110)
 and (100).  CIF files for facet (111) consists of six
 files, employed to calculate the Pourbaix diagram shown by Figure 4A of
 the manuscript main text. Their corresponding lattice structures are shown
 by Figure 4B of the manuscript main text. The file name of each file is
 the same as the label and the structure presented in the Figure 4A and
 Figure 4B.   CIF files for facet (110) also consists of
 six files, employed to calculate the Pourbaix diagram shown by Figure S31A
 of the supplementary materials. Their corresponding lattice structures are
 shown by Figure S31B of the supplementary materials. The file name of each
 file is the same as the label and the structure presented in the Figure
 S31A and Figure S31B. CIF files for facet (100)
 consists of three files, employed to calculate the Pourbaix diagram shown
 by Figure S32A of the supplementary materials. Their corresponding lattice
 structures are shown by Figure S32B of the supplementary materials. The
 file name of each file is the same as the label and the structure
 presented in the Figure S32A and Figure S32B.
description: The files containing the datasets are in ZIP format. Need to
 unZIP to open individual files.