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July/August ACS Org. & Inorg. Chem. cover

June Inorg. Chem. cover

May Inorg. Chem. cover

2023

119	S. Hariyani, M. Sojka, A. Setlur, J. Brgoch, A Guide to Comprehensive Phosphor Discovery, Nat. Rev. Mater. 2023, accepted.
118	J. Schrier, A. Norquist, T. Buonassisi, J. Brgoch, In Pursuit of the Exceptional: Research Directions for Machine Learning in Chemical and Materials Science, J. Am. Chem. Soc. 2023, 145, 21699–21716.
117	G. G. C. Peterson, K. Hilleke, S. Lotfi, E. Zurek, J. Brgoch, Twists and Puckers: Tuning Crystal Chemistry in the La(AuxGe1−x)2Compositional Series, J. Am. Chem. Soc. 2023, 145,* 21612–21622.
116	C. Li, M. Sójka, J. Zhong, and J. Brgoch, Non-destructive food-quality analysis using near-infrared luminescence from Mg3Gd2Ge3O12:Cr3+, Dalton Trans. 2023, 52, 12892−12898.
116	J. Sambur* and J. Brgoch, Unveiling the Hidden Influence of Defects via Experiment and Data Science, Chem. Mater.* 2023, 35, 18, 7351–7354.
115	N. Lee, M. Sójka, and J. Brgoch, Luminescent Properties of the Sr8−xBaxMgY(PO4)7:Eu2+ Solid Solution, Opt. Mater. X* 2023, 20, 100257.
114	M. Sójka, S. Hariyani, N. Lee, J. Brgoch, Colossal Chromatic Shift in the Ba2Ca2B4O10:Ce3+Phosphor, Chem. Mater.* 2023, 35, 6491–6501.
113	A. N. Danthanarayana, S. Nandy, K. Kourentzi, B. Vu, T. R. Shelite, B. L. Travi, J. Brgoch, R. C. Willson, 'Smartphone-Readable RPA-LFA for the High-Sensitivity Detection of Leishmania kDNA using Nanophosphor Reporters, PLOS Negl. Trop. Dis., 2023, 17(7), e0011436.
112	M. Sojka, J. Zhong, J. Brgoch, Developing Broadband Cr3+-Substituted Phosphor Converted Near-Infrared Light Sources, 2023, ACS Appl. Opt. Mater.* 2023, 1, 1138−1149..
111	R. Arrieta, D. Doan, J. Brgoch, From Laves Phases to Quasicrystal Approximants in the Na–Au–Cd System, Inorg. Chem. 2023, accepted*.
110	X. He, N. K. Tailor, S. Satapathi, J. Brgoch, D.-S. Yang, Strong Coupling of Self-Trapped Excitons to Acoustic Phonons in Bismuth Perovskite Cs3Bi2I9, Adv. Opt. Mater.* 2023, 12, 2300199.
109	S. Hariyani, X. Xing, M. Amachraa, J. Bao, S. Ping Ong, and J. Brgoch, Enabling Wide-Gamut Human-Centric Display Lighting, Adv. Opt. Mater.* 2023, 11, 2370025.

2022

108	C. Mohan, R. Lei, B. Vu, K. Kourentzi, S. Soomro, A. N. Danthanarayana, J. Brgoch, S. Nadimpalli, M. Petri, R. Willson, A Novel Technology for Home Monitoring of Lupus Nephritis that Tracks the Pathogenic Urine Biomarker, ALCAM, Front. Immunol.* 2022, 13, 1044743.
107	J. Zhong, L. Zeng, We. Zhao, and J. Brgoch, Producing a Tunable Broadband Near-Infrared Emission through Co-Substitution in (Ga1‑xMgx)(Ga1‑xGex)O3:Cr3+, ACS Appl. Mater. Interfaces 2022, 14, 51157-51164.
106	S. Hariyani, J. Brgoch, F. Garcia-Santamaria, S. P. Sista, J, E. Murphy, A. A. Setlur, From Lab to Lamp: Understanding Downconverter Degradation in LED Packages, J. Appl. Phys. 2022, 132*, 190901.
105	J. Hickey and J. Brgoch, The Limits of Proxy-Guided Superhard Materials Screening, Chem. Mater.* 2022, 34, 10003-10010.
104	Z. Zhang and J. Brgoch, Treating Superhard Materials as Anomalies, J. Am. Chem. Soc.* 2022, 39, 18075-18080.
103	S. Novikov, Y. Lu, W. Zhang, P. S. Halasyamani, S. Hariyani, J. Brgoch, V. Klepov, H.-C. zur Loye, Y. Mozharivskyj, Phosphorescence in Mn4+-doped R+/R2+germanates (R+ = Na+ or K+, R2+ = Sr2+), Inorg. Chem.* 2022, 61, 9364-9374. (featured cover article)
102	Y. Qin, F. Zhong, Y. Bian, S. Hariyani, Y. Cao, J. Brgoch, T. Seto, M. G. Brik, A. M. Srivastava, X. Wang, Y. Wang, A Sensitive and Reliable Fluorescent Thermometer Based on Red-Emitting Li2MgHfO4:Mn4+ Phosphor, Inorg. Chem.* 2022, 61, 8103-8134. (featured cover article)
101	M. E. Parry, J. Hendry, S. Couper, A. M. Tehrani, A. O. Oliynyk, J. Brgoch, L. Miyagi, and T. D. Sparks, Trends in Bulk Compressibility of Mo2−xWxBC Solid Solutions, Chem. Mater.* 2022, 34, 2569-2575.
100	M. Hämmer, J. Brgoch, P. Netzsch, H. Höppe, The Role of the Bi3+ Lone Pair Effect in Bi(H3O)(SO4)2, Bi(HSO4)3and Bi2(SO4)3, Inorg. Chem.* 2022, 61, 4102-4113.
99	S. Lotfi, R. A. Arrieta, G. G. C. Peterson, P. Delgado‡, J. Brgoch, From simple to complex crystal chemistry in the RE−Au−Tt systems (RE = La, Ce, Pr, Nd, Ho; Tt = Ge, Sn, Pb), ACS Org. Inorg. Au* 2022, 2, 318-326. (featured cover article)
98	S Hariyani⊥, M. Amachraa⊥, M. Khan, S. P. Ong, and J. Brgoch, Local Environment Rigidity and the Evolution of Optical Properties in the Green-emitting Phosphor Ba1-xSrxScO2F:Eu2+, J. Mater. Chem. C* 2022, 10,2955-2964. (⊥Contributed equally)
97	R. A. Arreita and J. Brgoch, Forming Platinide Phases Under Pressure in the Cs−Pt System, J. Phys. Chem. C* 2022, 126, 2062-2069.
96	J. C. Hickey and J. Brgoch, Modulating Hardness in Sc2(Ru5-xTMx)B4 through Empirical Considerations and Computational Analysis, J. Mater. Chem. C 2022, 10, 1488-1497.
95	J. Zhong, C. Li, W. Zhao, S. You, and J. Brgoch, Accessing High-Power Near-Infrared Spectroscopy using Cr3+ Substituted Metal Phosphate Phosphors, Chem. Mater. 2022, 34, 337-344.
94	A. Danthanarayana, J. Brgoch, and R. C. Willson, Photoluminescent Molecules and Materials as Diagnostic Reporters in Lateral Flow Assays, ACS Applied Bio Materials, 2022, 5, 82-96.
93	S. Hariyani and J. Brgoch, Spectral Design of Phosphor-Converted Solid-State Lighting Guided by Color Theory, Inorg. Chem., 2022, 61, 4205-4218. (featured cover article and invited view point*)
92	S. Hong, Y. Cheng, S. Hariyani, J. Li, R. M. Doughty, A. Mantravadi, A. N. Adeyemi, E. A. Smith, J. Brgoch, F. E. Osterloh, J. V. Zaikina, The Deep Eutectic Solvent Precipitation Synthesis of Metastable Zn4V2O9, Inorg. Chem*. 2022, 61, 154-169.

2021

91	J. Zhong, Y. Zhuo, H. Zhang, W. Zhao, J. Wen, and J. Brgoch, Efficient Broadband Near-Infrared Emission in the GaTaO4:Cr3+Phosphor, Adv. Opt. Mater.* 2021, 2101800.
90	J. Zhong, Y. Zhuo, H. Zhang, W. Zhao, J. Wen, and J. Brgoch, Understanding the β-K2CO3-Type Na(Na0.5Sc0.5)BO3:Ce3+ Phosphor, ECS J. Solid State Sci. Technol.* 2021, 10, 096014.
89	Z. Zhang and J. Brgoch, Determining Temperature-Dependent Vickers Hardness with Machine Learning, J. Phys. Chem. Lett.* 2021, 12, 6760–6766.
88	J. Zhong, Y. Zhuo, F. Du, H. Zhang, W. Zhao, J. Brgoch, Efficient and Tunable Luminescence in Ga2−xInxO3:Cr3+for Near-Infrared Imaging, ACS Appl. Mater. Interfaces* 2021, 13, 31835–31842..
87	Y. Zhuo, S. Hariyani, J. Zhong, and J. Brgoch, Creating a Green-Emitting Phosphor through Selective Rare-Earth Site-Preference in NaBaB9O15:Eu2+, Chem. Mater.* 2021, 33, 3304−3311.
86	S. Hariyani and J. Brgoch, Advancing the Development of Human-Centric Lighting through Violet Light Excited, Blue-Emitting Na2MgPO4F:Eu2+, ACS Appl. Mater. Interfaces* 2021, 13, 16669-16676.
85	L. Gunawardhanaa, K. Kourentzi, A. N. Danthanarayana, J. Brgoch, X Shana, R C. Willson, Wei-Chuan Shih, SERS-based Ultrasensitive Lateral Flow Assay for Quantitative Sensing of Protein Biomarkers, IEEE J. Sel. Top. Quantum Electron* 2021, 27, 1-8.
84	G. G. C. Peterson and J. Brgoch, Materials Discovery through Machine Learning Formation Energy, J. Phys. Energy* 2021, 3, 022002.
83	Y. Zhuo* and J. Brgoch, Opportunities for Next-Generation Luminescent Materials through Artificial Intellegence, J. Phys. Chem. Lett.* 2021, 12, 764–772. (Invited perspective, featured cover article)
82	Z. Zhang, A. Mansouri Tehrani, A. O. Oliynyk, B. Day, J. Brgoch, Finding the Next Superhard Material through Ensemble Learning, Adv. Mater.* 2021, 33, 2005112. (featured frontispiece)

2020

81	S. Jantz, R. Erdmann, S. Hariyani, J. Brgoch, H. Höppe, Sr6(BO3)3BN2 – An Oxidonitridoborate Phosphor Featuring BN2 Dumbbells, Chem. Mater.* 2020, 32, 8587-8594.
80	J. Zhong, Y. Zhuo, S. Hariyani, W. Zhao, J. Wen, and J. Brgoch, Thermally Robust and Color-tunable Blue-green Emitting BaMgSi4O10:Eu2+,Mn2+Phosphor for Warm White-LEDs, Inorg. Chem.* 2020, 59, 13427-13434.
79	S. You⊥, Y. Zhuo⊥, Q. Chen, J. Brgoch, R.-J. Xie, Dual-Site Occupancy Induced Broadband Cyan Emission in Ba2CaB2Si4O14:Ce3+, J. Mater. Chem. C 2020, , 8, 15626−15633. [doi] (⊥contributed equally to this work)
78	S. Hariyani and J. Brgoch, Local Structure Distortion Induced Broad Band Emission in the All-inorganic BaScO2F:Eu2+ Perovskite, Chem. Mater.* 2020, 32, 6640−6649.
77	M. Amachraa, Z. Wang, H. Tang, S. Hariyani, C. Chen, J. Brgoch, and S. P. Ong, Unified Theory of Thermal Quenching in Inorganic Phosphors, Chem. Mater.* 2020, 32, 6259-6265.
76	Y. Zhuo, S. Hariyani, S. You, P. Dorenbos, and J. Brgoch, Machine Learning 5d-level Centroid Shift of Ce3+ Inorganic Phosphors, J. Appl. Phys.* 2020, 2, 128. (Invited special issue: Machine Learning for Materials Design and Discovery)
75	A. Y.-T. Wang, R. J. Murdock, S. K. Kauwe, A. O. Oliynyk, A. Gurlo, J. Brgoch, K. A. Persson, T. D. Sparks, Machine Learning for Materials Scientists: An Introductory Guide toward Best Practices, Chem. Matter.* 2020, 32, 4954−4965. (invited editorial)
74	M. B. Gray, S. Hariyani, T. A. Strom, J. D. Majher, J. Brgoch, and P. M. Woodward, High-Efficiency Blue Photoluminescence in the Cs2NaInCl6:Sb3+Double Perovskite Phosphor, J. Mater. Chem. C* 2020, 8, 6797−6803.
73	S. Lotfi⊥, Z. Zhang⊥, G. Viswanathan, K. Fortenberry, A. Mansouri Tehrani, and J. Brgoch, Targeting Productive Composition Space through Machine-Learning Directed Inorganic Synthesis, Matter* 2020, 3, 261-272. (⊥contributed equally to this work)
72	S. Lotfi and J. Brgoch, Discovering Intermetallics through Synthesis, Computation, and Data-Driven Analysis, Chem. Eur. -J.* 2020, 26, 8689-8697. (invited minireivew)
71	Z. Zhang, A. Mansouri Tehrani, J. Brgoch, Tailoring the Mechanical Properties of Earth-Abundant Transition Metal Borides via Bonding Optimization, J. Phys. Chem. C* 2020, 124, 4430−4437.
70	S. Hariyani, A. C. Duke, T. Krauskopf, W. G. Zeier, J. Brgoch, The Effect of Rare-Earth Substitution on the Debye Temperature of Inorganic Phosphors, Appl. Phys. Lett.* 2020, 116, 051901.
69	J. Zhong, S. Hariyani, Y. Zhuo, W. Zhao, J. Wen, and J. Brgoch, Combining Experiment and Computation to Elucidate the Optical Properties of Ce3+ in Ba5Si8O21, Phys. Chem. Chem. Phys. 2020, 22, 2327-2336.
68	J. Zhong⊥, Y. Zhuo⊥, S. Hariyani, W. Zhao, J. Wen, and J. Brgoch, Designing NaMgBO3:Ce3+ as a Thermally Invariant, Highly Efficient Cyan-Emitting Phosphor for Full-Spectrum White Lighting, Chem. Mater. 2020, 32, 882-888. (⊥contributed equally to this work)
67	Y. Zhuo, S. Hariyani, E. Armijo, Z. A. Lawson, and J. Brgoch, Evaluating Thermal Quenching Temperature in Eu3+-Substituted Oxide Phosphors via Machine Learning, ACS Appl. Mater. Interfaces* 2020, 12, 5244-5250. (Invited special issue: Young Investigator Forum)
66	A. Danthanarayana, E. Finley, K. Kourentzi, R. C. Willson, and J. Brgoch, A Multicolor Multiplex Lateral Flow Assay for High-Sensitivity Analyte Detection Using Persistent Luminescent Nanophosphors, Anal. Methods 2020, 12, 272-280.
65	T. D. Sparks, S. K. Kauwe, M. E. Parry, A. Mansouri Tehrani, and J. Brgoch, Machine Learning for Structural Materials, Annual Review of Materials , Annual Review of Materials Research* 2020, 50, 27−48.
64	S. Hariyani, E. Armijo, and J. Brgoch, Broad Green Emission in the Leucite-like Cs2ZnSi5O12:Eu2+ Phosphor, ECS J. Solid State Sci. Technol. 2020*, 9, 016015. (Invited special issue: A tribute to Nobel laureate Isamu Akasaki)

2019

63	M. Parry, S. Couper, A. Mansouri Tehrani, A. O. Oliynyk, J. Brgoch, L. Miyagi, and T. D. Sparks, Lattice Strain and Texture Analysis of Superhard Mo0.9W1.1BC and ReWC0.8 via Diamond Anvil Cell Deformation, J. Mat. Chem. A* 2019, 7, 24012-24018. [doi]
62	P. Netzsch, P. Gross, H. Takahashi, S. Lotfi, J. Brgoch, and H. Höppe*, Exploring Main Group Metal Borosulfates: Similarities and Differences of Two New Borosulfates M[B2O(SO4)3] (M = Sr, Pb), Eur. J. Inorg. Chem. 2019, 36, 3975-3981. [doi]
61	E. Finley, M. Gaultois, and J. Brgoch*, Unlocking the Key to Persistent Luminescence With X-Ray Absorption Spectroscopy: A Local Structure Investigation of Cr-Substituted Spinel-Type Phosphors, Phys. Chem. Chem. Phys. 2019, 21, 19349-19358. [doi]
60	A. Mansouri Tehrani, A. O. Oliynyk, Z. Rizvi‡, M. Parry, T. D. Sparks, and J. Brgoch*, Atomic Substitution to Balance Hardness Ductility and Sustainability in Molybdenum Tungsten Borocabide, Chem Mater., 2019, 31, 7696-7703. [doi]
59	A. Mansouri Tehrani, A. Lim‡, and J. Brgoch*, Unconventional Mechanism for Simultaneous High Hardness and Ductility, Phys Rev. B, 2019, 100, 060102(R). [doi]
58	G. Viswanathan, A. Oliynyk, E. Antono, J. Ling, B. Merdig, and J. Brgoch, Single Crystal Automated Refinement (SCAR): A Data-Driven Method for Solving Inorganic Structures, Inorg. Chem. 2019, 58, 9004−9015. [doi]
57	E. Finley and J. Brgoch*, Deciphering the Loss of Persistent Red Luminescence in ZnGaO4:Cr3+ upon Al3+ Substitution, J. Mater. Chem. C 2019, 7, 2005-2013. [doi]
56	S. Lotfi and J. Brgoch*, Predicting Pressure-Stabilized Alkali Metal Iridides: A−Ir (A = Rb, Cs), Comput. Mater. Sci. 2019, 158, 124-129. [doi]
55	A. Mansouri Tehrani and J. Brgoch, Hard and Superhard Materials: A Computational Perspective J. Solid State Chem. 2019, 271, 47-58. [doi] Invited review article*
54	J. Zhong, W. Zhao, Y. Zhuo, C. Yan, J. Wen, and J. Brgoch*, Understanding the Blue-Emitting Orthoborate Phosphor NaBaBO3:Ce3+ through Experiment and Computation, J. Mater. Chem. C 2019, 7, 654-662. [doi]

2018

53	Y. Zhuo, A. Mansouri Tehrani, A. O. Oliynyk, A. C. Duke, and J. Brgoch*, Identifying an Efficient, Thermally Robust Inorganic Phosphor Host via Machine Learning, Nat. Commun. 2018, 9, 4377. [doi]
52	S. Lotfi, A. O. Oliynyk, J. Brgoch*, Polyanionic Gold-Tin Bonding and Crystal Structure Preference in REAu1.5Sn0.5 (RE = La, Ce, Pr, Nd), Inorg. Chem. 2018, 57, 10736–10743. [doi]
51	A. Mansouri Tehrani, A. O. Oliynyk, M. Parry, Z. Rizvi‡, S. Couper, F. Lin, L. Miyagi, T. D. Sparks, and J. Brgoch, Machine Learning Directed Search for Ultraincompressible, Superhard Materials, J. Am. Chem. Soc.* 2018, 140, 9844−9853. [doi]
50	E. Finley, A. Mansouri Tehrani, and J. Brgoch, Intrinsic Defects Drive Persistent Luminescence in Monoclinic SrAl2O4:Eu2+, J. Phys. Chem.* C 2018, 122, 16309−16314. [doi]
49	A. O. Oliynyk, M. W. Gaultois, M. Hermus, A. J. Morris, A. Mar, and J. Brgoch, Searching for Missing Binary Equiatomic Phases: Complex Crystal Chemistry in the Hf–In System, Inorg. Chem. 2018*, 57, 7966-7974. [doi]
48	S. G. Jantz, M. Dialer, L Bayarjargal, B Winkler, L. van Wüllen, F. Pielnhofer, J. Brgoch, R. Weihrich, and H. A. Höppe, Sn[B2O3F2] ‑ The First Tin Fluorooxoborate as Possible NLO Material, Adv. Opt. Mater.* 2018, 6, 1800497-1−1800497-8. [doi]
47	A. C. Duke, S. Hariyani‡, and J. Brgoch*, Ba3Y2B6O15:Ce3+ − A High Symmetry, Narrow-Emitting Blue Phosphor for Wide-gamut White Lighting, Chem. Mater. 2018, 30, 2668–2675. [doi]
46	Y. Zhuo, A. Mansouri Tehrani, and J. Brgoch*, Predicting the Band Gap of Inorganic Solids by Machine Learning, J. Phys. Chem. Lett. 2018, 9, 1668–1673. [doi]
45	A. C. Duke, M. Hermus, and J. Brgoch*, Structure Transformation and Cerium-substituted Optical Response across the Carbonitrodosilicate Solid Solution (LaδY1–δ)2Si4N6C (δ = 0–0.5), Inorg. Chem. 2018, 57, 519–527. [doi]

2017

44	A. O. Oliynyk, L. A. Adutwum, B. W. Rudyk, H. Pisavadia, S. Lotfi, V. Hlukhyy, J. J. Harynuk, A. Mar, and J. Brgoch*, Disentangling Structural Confusion through Machine Learning: Structure Prediction and Polymorphism of Equiatomic Ternary Phases ABC, J. Am. Chem. Soc. 2017, 139, 17870–17881. [doi]
43	E. Finley, A. S. Paterson, A. Cobb‡, R. C. Willson, and J. Brgoch*, Reducing Particle Size of Persistent Luminescent SrAl2O4:Eu2+,Dy3+ via Microwave-Assisted, Reverse Micelle Synthesis, Opt. Mater. Express 2017, 7, 2597–2616. [doi]
42	M. Hermus, P.-C. Phan‡, A. C. Duke, and J. Brgoch, Tunable Optical Properties and Increased Thermal Quenching in the Blue-Emitting Phosphor Series: Ba2(Y1–xLux)5B5O17:Ce3+ (x = 0–1), Chem. Mater.* 2017, 29, 5267–5275. [doi]
41	A. Mansouri Tehrani, L. Ghadbeigi, J. Brgoch, and T. D. Sparks, Balancing Mechanical Properties and Sustainability in the Search for Superhard Materials, Integr. Mater. Manuf. Innov. 2017, 6, 1–8. [doi]
40	A. S. Paterson, B. Raja, V. Mandadi, B. Townsend, M. Lee, A. Buell, B. V. Vu, J. Brgoch, and R. C. Willson, A Low-Cost Smartphone Based Platform for Highly Sensitive Point-of-Care Testing with Persistent Luminescent Nanophosphors, Lab Chip 2017, 17, 1051–1059. [doi] Featured Inside Back Cover*
39	A. Mansouri Tehrani and J. Brgoch*, Impact of Vacancies on the Mechanical Properties of Ultra-Incompressible, Hard Rhenium Subnitrides: Re2N and Re3N, Chem. Mater. 2017, 29, 2542–2549. [doi]

2016

38	E. Finley, A. Cobb‡, A. C. Duke, A. S. Paterson, and J. Brgoch*, Optimizing Blue Persistent Luminescence in (Sr1-δBaδ)2MgSi2O7:Eu2+,Dy3+ via Solid Solution for Use in Point-of-care Diagnostics, ACS Appl. Mater. Interfaces 2016, 8, 26956–26963. [doi]
37	M. Hermus, A. Mansouri Tehrani, and J. Brgoch*, Determining a Structural Distortion and Anion Ordering in La2Si4N6C via Computation and Experiment, Inorg. Chem. 2016, 55, 9454–9460. [doi]
36	A. C. Duke, E. Finley, M. Hermus, and J. Brgoch*, Yellow-Green Luminescence and Extreme Thermal Quenching in the Sr6M2Al4O15:Eu2+ (M = Y, Lu, Sc) Phosphor Series, Solid State Sci. 2016, 60, 108–113. [doi]
35	J. Brgoch* and M. Hermus, Pressure-stabilized Ir3– in Superconducting Potassium Iridide, J. Phys. Chem. C 2016, 120, 20033–20039. [doi]
34	J. Botana, J. Brgoch, C. Hou, and M. S. Miao*, Iodine Anions Beyond –1: The Formation of LinI (n = 2-5) and its Interaction with Quasi-atoms, Inorg. Chem. 2016, 55, 9377–9382. [doi]
33	M. Hermus, P.-C. Phan‡, and J. Brgoch*, Ab Initio Structure Determination and Photoluminescent Properties of an Efficient, Thermally Stable Blue Phosphor: Ba2Y5B5O17:Ce3+, Chem. Mater. 2016, 28, 1121–1127. [doi]

2015

32	T. D. Sparks*, M. Gaultois, A. Oliynyk, J. Brgoch, and B. Meredig, Data Mining Our Way to the Next Generation of Thermoelectrics, Scripta Mater. 2016, 111, 10−15. [doi]
31	M. S. Miao*, X.-L. Wang, J. Brgoch, F. Spera, M. G. Jackson, G. Kresse, and H.-Q. Lin, On the Anionic Chemistry of Noble Gases: Formation of Mg-NG (NG = Xe, Kr, Ar) Compounds under Pressure, J. Am. Chem. Soc. 2015, 137, 14122–14128. [doi]
30	D. Henge, M. Hermus, C. Litterscheid, N. Wagner, J. Beck, B. A. Albert, and J. Brgoch*, The Discovery of γ-MnP4 and the Polymorphism of Manganese Tetraphosphide, Inorg. Chem. 2015, 54, 8761−8768. [doi]
29	A. Mansouri Tehrani, H. Shahrokhshahi, N. Parvin, and J. Brgoch*, Influencing the Martensitic Phase Transformation in NiTi through Point Defects, J. Appl. Phys. 2015, 118, 014901. [doi]
28	T. T. Tran, M. Gooch, B. Lorenz, A. P. Litvinchuk, M. G. Sorolla II, J. Brgoch, P. C. W. Chu, and A. M. Guloy*, Nb2O2F3: A Reduced Niobium (III/IV) Oxyfluoride with a Complex Structural, Magnetic and Electronic Phase Transition, J. Am. Chem. Soc. 2015, 137, 636−639. [doi]
27	N. C. George, J. Brgoch, A. J. Pell, A. Jaffe‡, D. Geraldine, A. Llobet, G. Pintacuda, R. Seshadri, and B. Chmelka*, Correlating Local Compositions and Structures with the Macroscopic Optical Properties of Ce3+-doped CaSc2O4, an Efficient Green-emitting Phosphor, Chem. Mater. 2017, 29, 3538–3546. [doi: 10.1021/acs.chemmater.6b05394]
26	K. Denault, J. Brgoch, S. D. Kloß‡, M. Gaultois, J. Siewenie, K. Page, and R. Seshadri*, Average and Local Structure, Debye Temperature, and Structural Rigidity in Some Oxide Phosphor Host Compounds, ACS Appl. Mater. Interfaces 2015, 7, 7264−7272. [doi]
25	A. Knappschneider, C. Litterscheid, J. Brgoch, N. C. George, S. Henke, J. G. Hu, A. K. Cheetham, R. Seshadri, and B. Albert*, Manganese Tetraboride, MnB4: High-Temperature Crystal Structure, p-n Transition, 55Mn NMR, Solid Solutions, and Mechanical Properties, Chem. Eur. J. 2015, 21, 8177−8181. [doi]

2014

24	J. Brgoch*, M. Gaultois, M. Balasubramanian, K. Page, B.-C. Hong, and R. Seshadri, Local Structure and Structural Rigidity of the Green Phosphor β-SiAlON:Eu2+, Appl. Phys. Lett. 2014, 105, 181904-1−181904-4. [doi]
23	J. Brgoch, A. Lehner, M. Chabinyc, and R. Seshadri*, Ab Initio Calculations of Band Gaps and Absolute Band Positions of Polymorphs of RbPbI3 and CsPbI3: Implications for Main-Group Halide Perovskite Photovoltaics, J. Phys. Chem. C 2014, 118, 27721−27727. [doi]
22	J. Brgoch, K. Hasz‡, K. A. Denault, C. K. H. Borg‡, A. A. Mikhailovsky, and R. Seshadri*, Data-driven Discovery of Energy Materials: Efficient BaM2Si3O10:Eu2+ (M = Sc, Lu) Phosphors for Application in Solid State White Lighting, Faraday Discussions, 2014, 176, 333−347. [doi]
21	J. Brgoch, S. D. Kloß‡, K. A. Denault, and R. Seshadri*, Acccessing (Ba1–xSrx)Al2Si2O8:Eu2+ Phosphors for Solid State White Lighting via Microwave Assisted Preparation: Tuning Emission Color through Coordination Environment, Z. Anorg. Allg. Chem. 2014, 640, 1182–1189. [doi] (C.N.R. Rao Festschrift)
20	K. A. Denault, J. Brgoch, M. Gaultois, A. A. Mikhailovsky, R. Petry, H. Winkler, S. P. DenBaars, and R. Seshadri*, Consequences of Optimal Bond Valence on Structural Rigidity and Improved Luminescence Properties in SrxBa2-xSiO4:Eu2+ Orthosilicate Phosphors, Chem. Mater. 2014, 26, 2275–2282. [doi]
19	L. Misch, J. Brgoch, A. Birkel, T. Mates, G. D. Stucky, and R. Seshadri*, Rapid Microwave Preparation and Ab Initio Studies of the Stable Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5, Inorg. Chem. 2014, 53, 2628–2634. [doi]
18	A. Knappschneider, C. Litterscheid, N. C. George, J. Brgoch, N. Wagner, J. Beck, J. A. Kurzman, R. Seshadri, and B. Albert*, Peierls-distorted Monoclinic MnB4 with a Mn–Mn Bond, Angew. Chem. Int. Ed. 2014, 53, 1684–1688. [doi]

2013

17	N. George, A. Birkel, J. Brgoch, B.-C. Hong, A. Mikhailovsky, K. Page, A. Llobet, and R. Seshadri, Average and Local Structural Origins of the Optical Properties of the Nitride Phosphor La3-xCexSi6N11 (0 < x ≤ 3), Inorg. Chem. 2013, 52, 13730–13741. [doi]
16	J. Brgoch*, C. K. H. Borg‡, K. A. Denault, J. R. Douglas‡, T. A. Strom, S. P. DenBaars, and R. Seshadri, Rapid Microwave Preparation of Cerium-substituted Sodium Yttrium Silicate Phosphors for Solid State White Lighting, Solid State Sci. 2013, 26, 115–120. [doi]
15	K. A. Denault, Z. Cheng‡, J. Brgoch, S. P. DenBaars, and R. Seshadri*, Structure–Composition Relationships to Tune Optical Properties in Cerium-substituted Borate Phosphors, J. Mater. Chem. C 2013, 1, 7339–7345. [doi]
14	J. Brgoch*, S. P. DenBaars, and R. Seshadri, Proxies from ab-initio Calculations for Screening Efficient Ce3+ Phosphor Hosts, J. Phys. Chem. C 2013, 117, 17955–17959. [doi]
13	M. S. Miao, J. Brgoch, A. Krishnapriyan‡, A. R. Goldmann, J. A. Kurzman, and R. Seshadri*, On the Steroechemical Inertness of the Auride lone-pair: ab-initio Studies of AAu (A = K, Rb, Cs), Inorg. Chem. 2013, 52, 8183–8189. [doi]
12	J. Brgoch*, C. K. H. Borg‡, K. A. Denault, A. A. Mikhailovsky, S. P. DenBaars, and R. Seshadri, An Efficient, Thermally Stable Cerium-based Blue-green Phosphor for Solid State White Lighting, Inorg. Chem. 2013, 52, 8010–8016. [doi]
11	C. Goerens⊥, J. Brgoch⊥, G. J. Miller, and B. P. T. Fokwa*, Ti9–xM2+xRu18B8 (M = Cr–Ni; x = 0–1): A Valence Electron Sensitive Boride Series, J. Solid State Chem. 2013, 204, 283–290. [doi] (⊥co‑first authors)
10	Y. Zhang, J. Brgoch, and G. J. Miller*, Magnetic Ordering in Tetragonal 3d Metal Arsenides M2As (M = Cr, Mn, Fe): An ab-initio Investigation, Inorg. Chem. 2013, 52, 3013–3021. [doi]
9	J. Brgoch*, C. K. H. Borg‡, K. A. Denault, S. P. DenBaars, and R. Seshadri, Tuning Luminescent Properties via Structure Modification in the Solid-Solution (Ba1−xSrx)9Sc2Si6O24:Ce3+,Li+, Solid State Sci. 2013, 18, 149–154. [doi]
8	J. Brgoch, S. Ran, S. Thimmaiah, P. C. Canfield, and G. J. Miller*, Determination of a New Structure type in the Sc-Fe-Ge-Sn System, J. Alloys Compd. 2013, 546, 300–306. [doi]

2012

7	S. Steinberg, J. Brgoch, G. J. Miller*, and G. Meyer, Determining Structural Preference in Reduced Rare-Earth Metal Halides using Experimental and Computational Approaches, Inorg. Chem. 2012, 51, 11356–11364. [doi]
6	B. J. Anding, J. Brgoch, G. J. Miller, and L. K. Woo*, C-H Insertion Catalyzed by Tetratolylporphyrinato Methyliridium via a Metal-Carbene Intermediate, Organometallics 2012, 31, 5586–5590. [doi]
5	J. Brgoch, Y. A. Mahmoud‡, and G. J. Miller*, Determining Atomic Site Preference and its Effect on Magnetic Structure in a Class of Intermetallic Borides, J. Solid State Chem. 2012, 196, 168–174. [doi]
4	J. Brgoch and G. J. Miller*, The Validation of Interstitial Iron and Consequences of Non-stoichiometry in Mackinawite (Fe1+xS), J. Phys. Chem. A 2012, 116, 2234–2243. [doi] (Featured cover article)

2011

3	C. Goerens, J. Brgoch, G. J. Miller, and B. P. T. Fokwa*, Scaffolding, Ladders, Chains, and Rare Ferrimagnetism in Intermetallic Borides: Synthesis Crystal Chemistry and Magnetism, Inorg. Chem. 2011, 50, 6289–6296. [doi]
2	J. Brgoch, C. Goerens, B. P. T. Fokwa, and G. J. Miller*, Scaffolding, Ladders, Chains, and Rare Ferrimagnetism in Intermetallic Borides: Electronic Structure Calculations and Magnetic Ordering, J. Am. Chem. Soc. 2011, 133, 6832–6840. [doi]

2010

1	J. Brgoch, S. Yeninas, R. Prozorov, and G. J. Miller*, Structure, Bonding, and Magnetic Response in Two Complex Borides: Zr2Fe1-dRu5+dB2 and Zr2Fe1-d(Ru1-xRhx)5+dB2, J. Solid State Chem. 2010, 183, 2917–2924. [doi]

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