Zobrazeno 1 - 10
of 320
pro vyhledávání: '"Neilson, James R."'
Autor:
Dugu, Sita, Smaha, Rebecca W, Quadir, Shaham, Treglia, Andrew, ODonnell, Shaun, Martin, Julia, Mahatara, Sharad, Teeter, Glenn, Lany, Stephan, Neilson, James R, Bauers, Sage R
Recent high-throughput computational searches have predicted many novel ternary nitride compounds providing new opportunities for materials discovery in under explored phase spaces. Nevertheless, there are hardly any predictions and/or syntheses that
Externí odkaz:
http://arxiv.org/abs/2406.14443
Autor:
Dubajic, Milos, Neilson, James R., Klarbring, Johan, Liang, Xia, Boer, Stephanie A., Rule, Kirrily C., Auckett, Josie E., Gu, Leilei, Jia, Xuguang, Pusch, Andreas, Tumen-Ulzii, Ganbaatar, Wu, Qiyuan, Selby, Thomas A., Lu, Yang, Trowbridge, Julia C., Mozur, Eve M., Minelli, Arianna, Roth, Nikolaj, Orr, Kieran W. P., Soufiani, Arman Mahboubi, Kahmann, Simon, Kabakova, Irina, Ding, Jianning, Wu, Tom, Conibeer, Gavin J., Bremner, Stephen P., Walsh, Aron, Nielsen, Michael P., Stranks, Samuel D.
Empirical A-site cation substitution has advanced the stability and efficiency of hybrid organic-inorganic lead halide perovskites solar cells and the functionality of X-ray detectors. Yet, the fundamental mechanisms underpinning their unique perform
Externí odkaz:
http://arxiv.org/abs/2404.14598
Autor:
Rom, Christopher L., Novick, Andrew, McDermott, Matthew J., Yakovenko, Andrey A., Gallawa, Jessica R., Tran, Gia Thinh, Asebiah, Dominic C., Storck, Emily N., McBride, Brennan C., Miller, Rebecca C., Prieto, Amy L., Persson, Kristin A., Toberer, Eric, Stevanović, Vladan, Zakutayev, Andriy, Neilson, James R.
Recent computational studies have predicted many new ternary nitrides, revealing synthetic opportunities in this underexplored phase space. However, synthesizing new ternary nitrides is difficult, in part because intermediate and product phases often
Externí odkaz:
http://arxiv.org/abs/2310.19502
Autor:
McDermott, Matthew J., McBride, Brennan C., Regier, Corlyn, Tran, Gia Thinh, Chen, Yu, Corrao, Adam A., Gallant, Max C., Kamm, Gabrielle E., Bartel, Christopher J., Chapman, Karena W., Khalifah, Peter G., Ceder, Gerbrand, Neilson, James R., Persson, Kristin A.
Synthesis is a major challenge in the discovery of new inorganic materials. Currently, there is limited theoretical guidance for identifying optimal solid-state synthesis procedures. We introduce two selectivity metrics, primary and secondary competi
Externí odkaz:
http://arxiv.org/abs/2308.11816
Autor:
Rom, Christopher L., Smaha, Rebecca W., Knebel, Callan A., Heinselman, Karen N., Neilson, James R., Bauers, Sage R., Zakutayev, Andriy
Bulk solid state synthesis of nitride materials usually leads to thermodynamically stable, cation-ordered crystal structures, whereas thin film synthesis tends to favor disordered, metastable phases. This dichotomy is inconvenient both for basic mate
Externí odkaz:
http://arxiv.org/abs/2306.02233
Synthesis remains a challenge for advancing materials science. A key focus of this challenge is how to enable selective synthesis, particularly as it pertains to metastable materials. This perspective addresses the question: how can ``spectator'' ele
Externí odkaz:
http://arxiv.org/abs/2303.11915
Autor:
Rom, Christopher L., Smaha, Rebecca W., Melamed, Celeste L., Schnepf, Rekha R., Heinselman, Karen N., Mangum, John S., Lee, Sang-Jun, Lany, Stephan, Schelhas, Laura T., Greenaway, Ann L., Neilson, James R., Bauers, Sage R., Andrew, Jennifer S., Tamboli, Adele C.
Publikováno v:
Chemistry of Materials 2023, 35, 7, 2936-2946
Magnetic semiconductors may soon improve the energy efficiency of computers, but materials exhibiting these dual properties remain underexplored. Here, we report the computational prediction and realization of a new magnetic and semiconducting materi
Externí odkaz:
http://arxiv.org/abs/2206.03594
Autor:
Thatcher, Zachary, Liu, Chia-Hao, Yang, Long, McBride, Brennan C., Tran, Gia Thinh, Wustrow, Allison, Karlsen, Martin A., Neilson, James R., Ravnsbæk, Dorthe B., Billinge, Simon J. L.
A cloud-hosted web-based software application, nmfMapping, for carrying out a nonnegative matrix factorization of a set of powder diffraction or atomic pair distribution function datasets is described. This app allows structure scientists to rapidly
Externí odkaz:
http://arxiv.org/abs/2112.13300
Ternary nitride materials hold promise for many optical, electronic, and refractory applications yet their preparation via solid-state synthesis remains challenging. Often, high pressures or reactive gasses are used to manipulate the effective chemic
Externí odkaz:
http://arxiv.org/abs/2106.09752
Autor:
Todd, Paul K., McDermott, Matthew J., Rom, Christopher L., Corrao, Adam A., Denney, Jonathan J., Dwaraknath, Shyam S., Khalifah, Peter G., Persson, Kristin A., Neilson, James R.
In sharp contrast to molecular synthesis, materials synthesis is generally presumed to lack selectivity. The few known methods of designing selectivity in solid-state reactions have limited scope, such as topotactic reactions or strain stabilization.
Externí odkaz:
http://arxiv.org/abs/2104.05986