Emily A. Carter | Scholar Profiles and Rankings

Publications and Citation History

Publications based on Top Specialties

Types of Publication

Publications
Books
Patents
NIH/NSF


Thermodynamic guiding principles of high-capacity phase transformation materials for splitting H2 O and CO2 by thermochemical looping (journal article) Zhai, Shang \| Nam, Joonhyun \| Sai Gautam, Gopalakrishnan \| Lim, Kipil \| Rojas, Jimmy \| Toney, Michael F. \| Carter, Emily A. \| Jung, In-Ho \| Chueh, William C. \| Majumdar, Arun Journal of Materials Chemistry A, volume 10, issue 7, pages 3552-3561 (2022). 10.1039/D1TA10391A Cited by (1) \| Cite \| Source
Identifying an Alternative Hydride Transfer Pathway for CO2 Reduction on CdTe(111) and CuInS2 (112) Surfaces (journal article) Li, Lesheng \| Martirez, John Mark P. \| Carter, Emily A. Advanced Theory and Simulations, volume 5, issue 1 (2022). 10.1002/adts.202100413 Cited by (1) \| Cite \| Source
Relationship between ferroelectric polarization and stoichiometry of surfaces (journal article) Acosta, Adrian \| Martirez, J. Mark P. \| Lim, Norleakvisoth \| Chang, Jane P. \| Carter, Emily A. Physical Review Materials, volume 5, issue 12 (2021). 10.1103/PhysRevMaterials.5.124417 Cite \| Source
Assessing cathode property prediction via exchange-correlation functionals with and without long-range dispersion corrections (journal article) Long, Olivia Y. \| Sai Gautam, Gopalakrishnan \| Carter, Emily A. Physical Chemistry Chemical Physics, volume 23, issue 43, pages 24726-24737 (2021). 10.1039/D1CP03163E Cited by (4) \| Cite \| Source
Breaking a dative bond with mechanical forces (journal article) Chen, Pengcheng \| Fan, Dingxin \| Zhang, Yunlong \| Selloni, Annabella \| Carter, Emily A. \| Arnold, Craig B. \| Dankworth, David C. \| Rucker, Steven P. \| Chelikowsky, James R. \| Yao, Nan Nature Communications, volume 12, issue 1 (2021). 10.1038/s41467-021-25932-6 Cited by (13) \| Cite \| Source
Coupled Effects of Temperature, Pressure, and pH on Water Oxidation Thermodynamics and Kinetics (journal article) Govind Rajan, Ananth \| Martirez, John Mark P. \| Carter, Emily A. ACS Catalysis, volume 11, issue 18, pages 11305-11319 (2021). 10.1021/acscatal.1c02428 Cited by (3) \| Cite \| Source
Factors Governing Oxygen Vacancy Formation in Oxide Perovskites (journal article) Wexler, Robert B. \| Gautam, Gopalakrishnan Sai \| Stechel, Ellen B. \| Carter, Emily A. Journal of the American Chemical Society, volume 143, issue 33, pages 13212-13227 (2021). 10.1021/jacs.1c05570 Cited by (25) \| Cite \| Source
Projector-Free Capped-Fragment Scheme within Density Functional Embedding Theory for Covalent and Ionic Compounds (journal article) Martirez, John Mark P. \| Carter, Emily A. Journal of Chemical Theory and Computation, volume 17, issue 7, pages 4105-4121 (2021). 10.1021/acs.jctc.1c00285 Cited by (2) \| Cite \| Source
Metal-to-Ligand Charge-Transfer Spectrum of a Ru-Bipyridine-Sensitized TiO2 Cluster from Embedded Multiconfigurational Excited-State Theory (journal article) Martirez, John Mark P. \| Carter, Emily A. The Journal of Physical Chemistry A, volume 125, issue 23, pages 4998-5013 (2021). 10.1021/acs.jpca.1c02628 Cited by (2) \| Cite \| Source
Hot carrier multiplication in plasmonic photocatalysis (journal article) Zhou, Linan \| Lou, Minhan \| Bao, Junwei Lucas \| Zhang, Chao \| Liu, Jun G. \| Martirez, John Mark P. \| Tian, Shu \| Yuan, Lin \| Swearer, Dayne F. \| Robatjazi, Hossein \| ... \| Halas, Naomi J. Proceedings of the National Academy of Sciences, volume 118, issue 20 (2021). 10.1073/pnas.2022109118 Cited by (18) \| Cite \| Source
Revisiting Understanding of Electrochemical CO2 Reduction on Cu(111): Competing Proton-Coupled Electron Transfer Reaction Mechanisms Revealed by Embedded Correlated Wavefunction Theory (journal article) Zhao, Qing \| Martirez, John Mark P. \| Carter, Emily A. Journal of the American Chemical Society, volume 143, issue 16, pages 6152-6164 (2021). 10.1021/jacs.1c00880 Cited by (26) \| Cite \| Source
Optimizing kesterite solar cells from CuZnSnS to CuCdGe(S,Se) (journal article) Wexler, Robert B. \| Gautam, Gopalakrishnan Sai \| Carter, Emily A. Journal of Materials Chemistry A, volume 9, issue 15, pages 9882-9897 (2021). 10.1039/D0TA11603C Cited by (10) \| Cite \| Source
First-Principles Insights into Plasmon-Induced Catalysis (journal article) Martirez, John Mark P. \| Bao, Junwei Lucas \| Carter, Emily A. Annual Review of Physical Chemistry, volume 72, issue 1, pages 99-119 (2021). 10.1146/annurev-physchem-061020-053501 Cited by (20) \| Cite \| Source
Autobiography of Emily A. Carter (journal article) Carter, Emily A. The Journal of Physical Chemistry C, volume 125, issue 8, pages 4333-4341 (2021). 10.1021/acs.jpcc.0c10436 Cited by (3) \| Cite \| Source
Autobiography of Emily A. Carter (journal article) Carter, Emily A. The Journal of Physical Chemistry A, volume 125, issue 8, pages 1671-1679 (2021). 10.1021/acs.jpca.0c10044 Cite \| Source
CO2 Photoelectrochemical Reduction Catalyzed by a GaP(001) Photoelectrode (journal article) Xu, Shenzhen \| Carter, Emily A. ACS Catalysis, volume 11, issue 3, pages 1233-1241 (2021). 10.1021/acscatal.0c04240 Cited by (8) \| Cite \| Source
Precise Control of Nanoscale Cu Etching via Gas-Phase Oxidation and Chemical Complexation (journal article) Sheil, Ryan \| Martirez, J. Mark P. \| Sang, Xia \| Carter, Emily A. \| Chang, Jane P. The Journal of Physical Chemistry C, volume 125, issue 3, pages 1819-1832 (2021). 10.1021/acs.jpcc.0c08932 Cited by (6) \| Cite \| Source
First-Principles Modeling of Sodium Ion and Water Intercalation into Titanium Disulfide Interlayers for Water Desalination (journal article) Li, Lesheng \| Xu, Shenzhen \| Carter, Emily A. Chemistry of Materials, volume 32, issue 24, pages 10678-10687 (2020). 10.1021/acs.chemmater.0c03891 Cited by (4) \| Cite \| Source
Microkinetic model for pH- and potential-dependent oxygen evolution during water splitting on Fe-doped β-NiOOH (journal article) Govind Rajan, Ananth \| Carter, Emily A. Energy & Environmental Science, volume 13, issue 12, pages 4962-4976 (2020). 10.1039/D0EE02292F Cited by (30) \| Cite \| Source
Thermodynamics of Electrical Double Layers with Electrostatic Correlations (journal article) Gupta, Ankur \| Govind Rajan, Ananth \| Carter, Emily A. \| Stone, Howard A. The Journal of Physical Chemistry C, volume 124, issue 49, pages 26830-26842 (2020). 10.1021/acs.jpcc.0c08554 Cited by (5) \| Cite \| Source

Title	Investigators	Year	Expiration	Amount
CDS&E: Correlated Wavefunction Methods for Gas and Condensed Phases	Carter, Emily	09-01-2013	08-31-2017	$420,000
MRI: Acquisition of a Shared Parallel High Performance Storage System to Enable Computational Science and Engineering	Spitkovsky, Anatoly \| Hillegas, Curtis \| Carter, Emily \| Wood, Eric \| Pretorius, Frans	10-01-2012	09-30-2015	$525,000
Linear Scaling Electronic Structure Methods for Molecules and Materials	Carter, Emily	09-01-2009	08-31-2013	$600,000
Linear Scaling Electronic Structure Methods for Molecules and Materials	Carter, Emily	09-01-2005	08-31-2009	$420,000
Development and Applications of Condensed Matter Quantum Chemistry	Carter, Emily	09-01-2004	05-31-2006	$102,772
Development and Applications of Condensed Matter Quantum Chemistry	Carter, Emily	06-01-2002	10-31-2004	$390,600
First Principles Density-Based Embedding of Explicitly Correlated Systems	Carter, Emily	06-01-1999	05-31-2002	$361,400
Chemisorption on Metal Surfaces via Density Functional Theory Embedding of Ab Initio Finite Cluster Calculations	Carter, Emily	03-15-1996	02-29-2000	$348,245
Presidential Young Investigator Award: Theoretical Studies of Gas-Surface Reactions	Carter, Emily	09-01-1988	02-28-1995	$312,000