@article {1143,
	title = {Mechanistic understanding of pH effects on the oxygen evolution reaction},
	journal = {Electrochimica Acta},
	volume = {405},
	year = {2022},
	pages = {139810},
	abstract = {The oxygen-evolution reaction (OER) is pivotal in many energy-conversion technologies as it is an important counter reaction to others that convert stable chemicals to higher-value products using electrochemistry. The local microenvironment and pH for the anode OER can vary from acidic to neutral to alkaline depending on the system being explored, making definitive mechanistic insights difficult. In this paper, we couple experiments, first-principles calculations based on density functional theory, microkinetics, and transport modeling to explore the entire pH range of the OER. At low current densities, neutral pH values unexpectedly perform better than the acidic and alkaline conditions, and this trend is reversed at higher current densities (> 20~mA cm-2). Using multiscale modeling, this switch is rationalized by a change from a dual-reaction mechanism to a single rate-determining step. The model also shows how the alkaline reaction rates dominate in the middle to high pH range. Furthermore, we explore that the local pH for near-neutral conditions is much different (e.g., 2.4 at the reaction surface vs. 9 in the bulk) than the pH extremes, demonstrating the criticality that transport phenomena plays in kinetic activity.},
	keywords = {Electrochemistry, Microkinetics, Oxygen evolution reaction},
	issn = {0013-4686},
	doi = {https://doi.org/10.1016/j.electacta.2021.139810},
	url = {https://www.sciencedirect.com/science/article/pii/S0013468621020934},
	author = {Julie C. Fornaciari and Lien-Chun Weng and Shaun M. Alia and Cheng Zhan and Tuan Anh Pham and Alexis T. Bell and Tadashi Ogitsu and Nemanja Danilovic and Adam Z. Weber}
}
@article {1111,
	title = {Development of a Photoelectrochemically Self-Improving Si/GaN Photocathode for Efficient and Durable H2 Production},
	journal = {Nature Materials},
	year = {2021},
	month = {04/2021},
	pages = {1-6},
	doi = {10.1038/s41563-021-00965-w},
	url = {https://doi.org/10.1038/s41563-021-00965-w},
	author = {Guosong Zeng and Tuan Anh Pham and Srinivas Vanka and Guiji Liu and Chengyu Song and Jason K. Cooper and Zetian Mi and Tadashi Ogitsu and Francesca M. Toma}
}
@article {1041,
	title = {Integrating Ab Initio Simulations and X-ray Photoelectron Spectroscopy: Toward A Realistic Description of Oxidized Solid/Liquid Interfaces},
	journal = {The Journal of Physical Chemistry Letters},
	volume = {9},
	year = {2018},
	note = {<p>{\textquoteright}doi: 10.1021/acsenergylett.0c01132\n - I.Am.Hydrogen{\textquoteright} {\textquoteright}\n - jyoungstrom{\textquoteright} {\textquoteright}Jason thinks this is great.\n\&nbsp;\n - jyoungstrom{\textquoteright} {\textquoteright}\n - estechel{\textquoteright}</p>},
	pages = {194-203},
	abstract = {<p>Published on January 4th, 2019. Many energy storage and conversion devices rely on processes that take place at complex interfaces, where structural and chemical properties are often difficult to probe under operating conditions. A primary example is solar water splitting using high-performance photoelectrochemical cells, where surface chemistry, including native oxide formation, affects hydrogen generation. In this Perspective, we discuss some of the challenges associated with interrogating interface chemistry, and how they may be overcome by integrating high-level first-principles calculations of explicit interfaces with ambient pressure X-ray photoelectron spectroscopy and direct spectroscopic simulations. We illustrate the benefit of this combined approach toward insights into native oxide chemistry at prototypical InP/water and GaP/water interfaces. This example suggests a more general roadmap for obtaining a realistic and reliable description of the chemistry of complex interfaces by combining state-of-the-art computational and experimental techniques.</p>},
	issn = {1948-7185},
	doi = {10.1021/acs.jpclett.7b01382},
	url = {https://doi.org/10.1021/acs.jpclett.7b01382},
	author = {Tuan Anh Pham and Xueqiang Zhang and Brandon C. Wood and David Prendergast and Sylwia Ptasinska and Tadashi Ogitsu}
}
@article {1007,
	title = {Methods of photoelectrode characterization with high spatial and temporal resolution},
	journal = {Energy \& Environmental Science},
	volume = {8},
	note = {{\textquoteright}doi: 10.1021/acsenergylett.0c01132\n - I.Am.Hydrogen{\textquoteright}
{\textquoteright}\n - jyoungstrom{\textquoteright}
{\textquoteright}Jason thinks this is great.\n~\n - jyoungstrom{\textquoteright}
{\textquoteright}\n - estechel{\textquoteright}
},
	pages = {2863-2885},
	abstract = {Materials and photoelectrode architectures that are highly efficient, extremely stable, and made from low cost materials are required for commercially viable photoelectrochemical (PEC) water-splitting technology. A key challenge is the heterogeneous nature of real-world materials, which often possess spatial variation in their crystal structure, morphology, and/or composition at the nano-, micro-, or macro-scale. Different structures and compositions can have vastly different properties and can therefore strongly influence the overall performance of the photoelectrode through complex structure{\textendash}property relationships. A complete understanding of photoelectrode materials would also involve elucidation of processes such as carrier collection and electrochemical charge transfer that occur at very fast time scales. We present herein an overview of a broad suite of experimental and computational tools that can be used to define the structure{\textendash}property relationships of photoelectrode materials at small dimensions and on fast time scales. A major focus is on in situ scanning-probe measurement (SPM) techniques that possess the ability to measure differences in optical, electronic, catalytic, and physical properties with nano- or micro-scale spatial resolution. In situ ultrafast spectroscopic techniques, used to probe carrier dynamics involved with processes such as carrier generation, recombination, and interfacial charge transport, are also discussed. Complementing all of these experimental techniques are computational atomistic modeling tools, which can be invaluable for interpreting experimental results, aiding in materials discovery, and interrogating PEC processes at length and time scales not currently accessible by experiment. In addition to reviewing the basic capabilities of these experimental and computational techniques, we highlight key opportunities and limitations of applying these tools for the development of PEC materials.},
	issn = {1754-5706},
	doi = {10.1039/C5EE00835B},
	url = {http://pubs.rsc.org/en/content/articlelanding/2015/ee/c5ee00835b},
	author = {Daniel V. Esposito and Jason B. Baxter and Jimmy John and Nathan S. Lewis and Thomas P. Moffat and Tadashi Ogitsu and Glen D. O{\textquoteright}Neil and Tuan Anh Pham and A. Alec Talin and Jesus M. Velazquez and Brandon C. Wood}
}
